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

Systemtic Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-methylsulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-methylsulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(methylthio)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-methylsulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-(methylthio)-4-o-phenetyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C17H17N2O4S- MolecularWeight: 345.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=O)C2=C([O-])OC)SC)C#N

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SC)C#N

InChI

InChI=1S/C17H18N2O4S/c1-4-23-12-8-6-5-7-10(12)13-11(9-18)16(24-3)19-15(20)14(13)17(21)22-2/h5-8,13,21H,4H2,1-3H3,(H,19,20)/p-1/t13-/m1/s1