[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C21H17N3O3S/c1-28-15-9-6-14(7-10-15)8-11-20(26)27-13-19(25)16(12-22)21-23-17-4-2-3-5-18(17)24-21/h2-11,23-24H,13H2,1H3