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Summary Geometry Related PDB entries

R2D

Summary

Name:	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Formula:	C17 H11 Cl N2 O2 S
Formal charge:	0
Formula weight:	342.799 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
OpenEye OEToolkits	2.0.7	2-[1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c32n(c1ccccc1n2)c(c(CC(=O)O)s3)c4ccc(cc4)Cl
InChI	InChI	1.03	InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)
InChIKey	InChI	1.03	PUYFLGQZLHVTHX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4
SMILES	CACTVS	3.385	OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl

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