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RJB

Summary
Name:2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
Formula:C20 H18 N2 O3 S
Formal charge:0
Formula weight:366.434 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H18N2O3S/c23-18(24)11-20(9-13-5-1-2-6-14(13)10-20)19(25)21-12-17-22-15-7-3-4-8-16(15)26-17/h1-8H,9-12H2,(H,21,25)(H,23,24)
InChIKeyInChI1.03OYMIHDNBNWVHIU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3
SMILESCACTVS3.385OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3

223790

PDB entries from 2024-08-14

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