CGE

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Summary

Name:Clopidogrel
Synonyms:methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate
Formula:C16 H16 Cl N O2 S
Formal charge:0
Molecular weight:321.822 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate
OpenEye OEToolkits1.7.0methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1C(N3CCc2sccc2C3)C(=O)OC
SMILES_CANONICALCACTVS3.370COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl
SMILESCACTVS3.370COC(=O)[CH](N1CCc2sccc2C1)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.0COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2
SMILESOpenEye OEToolkits1.7.0COC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2
InChIInChI1.03InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
InChIKeyInChI1.03GKTWGGQPFAXNFI-HNNXBMFYSA-N
171313
PDB entries from 2020-11-18