[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C22H21N3O3S/c1-14-8-10-16(11-9-14)29-15(2)22(27)28-13-20(26)17(12-23)21-24-18-6-4-5-7-19(18)25(21)3/h4-11,15,24H,13H2,1-3H3/b21-17+/t15-/m1/s1