[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C25H22N4O3S2/c1-16-27-18(14-33-16)15-34-19-10-8-17(9-11-19)25(31)32-13-23(30)20(12-26)24-28(2)21-6-4-5-7-22(21)29(24)3/h4-11,14H,13,15H2,1-3H3