ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H18ClN3O3S2/c1-2-29-21(28)19-14(13-7-3-4-8-15(13)23)11-30-20(19)26-18(27)12-31-22-24-16-9-5-6-10-17(16)25-22/h3-11H,2,12H2,1H3,(H,24,25)(H,26,27)