methyl 4-(4-acetamidophenyl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-acetamidophenyl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(4-acetamidophenyl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(4-acetamidophenyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-acetamidophenyl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(4-acetamidophenyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-12(24)21-13-7-9-14(10-8-13)28-11-17(25)18(20(26)27-2)19-22-15-5-3-4-6-16(15)23-19/h3-10,22-23H,11H2,1-2H3,(H,21,24)