[(4S)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate

Systemtic Name: [(4S)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-benzylsulfanyl-5-cyano-2-oxo-4-(p-tolyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(4-methylphenyl)-2-oxo-6-(phenylmethylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-benzylsulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(benzylthio)-5-cyano-2-keto-4-(p-tolyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C22H19N2O3S- MolecularWeight: 391.46286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N2O3S/c1-14-8-10-16(11-9-14)18-17(12-23)21(24-20(25)19(18)22(26)27-2)28-13-15-6-4-3-5-7-15/h3-11,18,26H,13H2,1-2H3,(H,24,25)/p-1/t18-/m1/s1