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

Systemtic Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-5-cyano-6-(1-naphthylmethylsulfanyl)-4-(o-tolyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-(1-naphthalenylmethylthio)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-(1-naphthylmethylthio)-4-(o-tolyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C26H21N2O3S- MolecularWeight: 441.52154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C26H22N2O3S/c1-16-8-3-5-12-19(16)22-21(14-27)25(28-24(29)23(22)26(30)31-2)32-15-18-11-7-10-17-9-4-6-13-20(17)18/h3-13,22,30H,15H2,1-2H3,(H,28,29)/p-1/t22-/m1/s1