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

Systemtic Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-4-o-phenetyl-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C20H21N2O6S- MolecularWeight: 417.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-27-14-9-7-6-8-12(14)16-13(10-21)19(29-11-15(23)26-3)22-18(24)17(16)20(25)28-5-2/h6-9,16,25H,4-5,11H2,1-3H3,(H,22,24)/p-1/t16-/m1/s1