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

Systemtic Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-4-o-phenetyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C19H19N2O6S- MolecularWeight: 403.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-4-27-13-8-6-5-7-11(13)15-12(9-20)18(28-10-14(22)25-2)21-17(23)16(15)19(24)26-3/h5-8,15,24H,4,10H2,1-3H3,(H,21,23)/p-1/t15-/m1/s1