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

Systemtic Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-methylsulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-5-cyano-6-methylsulfanyl-4-(o-tolyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-(methylthio)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-methylphenyl)-6-methylsulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-(methylthio)-4-(o-tolyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C16H15N2O3S- MolecularWeight: 315.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-9-6-4-5-7-10(9)12-11(8-17)15(22-3)18-14(19)13(12)16(20)21-2/h4-7,12,20H,1-3H3,(H,18,19)/p-1/t12-/m1/s1