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N92 : Summary
Code ![](/pdbe/static/images/help.png)
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N92
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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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4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
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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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C16 H11 Cl 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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346.788 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 |
OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NSPLXNBEHSXYHJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (23 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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2019-11-18
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-03
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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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