methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,5-dimethylphenyl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,5-dimethylphenyl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,5-dimethylphenyl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(2,5-dimethylphenyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,5-dimethylphenyl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(2,5-dimethylphenyl)thio]-3-keto-butyric acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-12-8-9-13(2)17(10-12)26-11-16(23)18(20(24)25-3)19-21-14-6-4-5-7-15(14)22-19/h4-10,21-22H,11H2,1-3H3