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UL1 : Summary
Code ![](/pdbe/static/images/help.png)
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UL1
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H11 N O3 S2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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281.351 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC |
SMILES
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CACTVS |
3.385 |
COc1ccc(cc1OC)C=C2SC(=S)NC2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2 |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cc1OC)\C=C\2SC(=S)NC\2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XVAIHVYMCLRIOV-POHAHGRESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-05-20
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-05
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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