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Summary Geometry Related PDB entries

N5Q

Summary

Name:	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
Formula:	C20 H14 N2 O3 S
Formal charge:	0
Formula weight:	362.402 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)
InChIKey	InChI	1.03	HUECFCSRZKSRJF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O
SMILES	CACTVS	3.385	OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O

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