[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C20H17N3O4S/c1-12-6-8-18(28-12)16(24)7-9-19(26)27-11-17(25)13(10-21)20-22-14-4-2-3-5-15(14)23-20/h2-6,8,22-23H,7,9,11H2,1H3