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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(p-tolylsulfanyl)butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methylphenyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(p-tolylthio)butyric acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C19H18N2O3S/c1-12-7-9-13(10-8-12)25-11-16(22)17(19(23)24-2)18-20-14-5-3-4-6-15(14)21-18/h3-10,20-21H,11H2,1-2H3