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

Systemtic Name: [(4S)-5-cyano-4-(2-methoxyphenyl)-6-methylsulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-5-cyano-4-(2-methoxyphenyl)-6-methylsulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-methoxyphenyl)-6-(methylthio)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-methoxyphenyl)-6-methylsulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-4-(2-methoxyphenyl)-6-(methylthio)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(=C(NC(=O)C2=C([O-])OC)SC)C#N

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SC)C#N

InChI

InChI=1S/C16H16N2O4S/c1-21-11-7-5-4-6-9(11)12-10(8-17)15(23-3)18-14(19)13(12)16(20)22-2/h4-7,12,20H,1-3H3,(H,18,19)/p-1/t12-/m1/s1