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9OE : Summary
Code ![](/pdbe/static/images/help.png)
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9OE
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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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(5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-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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C11 H10 N2 O3 S
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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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250.274 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1cc(ccc1O)C=C2SC(=O)N=C2N |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc(ccc1O)C=C2C(=NC(=O)S2)N |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc(ccc1O)/C=C/2SC(=O)N=C/2N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(12)13-11(15)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QXUJSIBXSHADES-UITAMQMPSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (17 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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2017-06-16
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Last modified at ![](/pdbe/static/images/help.png)
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2018-06-22
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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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