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

Systemtic Name: [(4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4R)-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4R)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-(2-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4R)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4R)-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-2-keto-4-o-phenetyl-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C21H23N2O6S- MolecularWeight: 431.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-27-15-10-8-7-9-13(15)17-14(11-22)20(30-12-16(24)28-5-2)23-19(25)18(17)21(26)29-6-3/h7-10,17,26H,4-6,12H2,1-3H3,(H,23,25)/p-1/t17-/m0/s1