3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxo-butanoic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-4-(4-chlorophenyl)-4-oxobutanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-(4-chlorophenyl)-4-oxobutanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-4-(4-chlorophenyl)-4-keto-butyric acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-11-7-5-10(6-8-11)16(23)14(9-15(21)22)24-17-19-12-3-1-2-4-13(12)20-17/h1-8,14H,9H2,(H,19,20)(H,21,22)