ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 3-(1H-benzimidazol-2-ylthio)-4-(4-chlorophenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 3-(1H-benzimidazol-2-ylthio)-4-(4-chlorophenyl)-4-keto-butyric acid ethyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H17ClN2O3S/c1-2-25-17(23)11-16(18(24)12-7-9-13(20)10-8-12)26-19-21-14-5-3-4-6-15(14)22-19/h3-10,16H,2,11H2,1H3,(H,21,22)