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

Systemtic Name: [(4S)-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-(phenylmethylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(benzylthio)-5-cyano-2-keto-4-p-phenetyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C23H21N2O4S- MolecularWeight: 421.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O4S/c1-3-29-17-11-9-16(10-12-17)19-18(13-24)22(25-21(26)20(19)23(27)28-2)30-14-15-7-5-4-6-8-15/h4-12,19,27H,3,14H2,1-2H3,(H,25,26)/p-1/t19-/m1/s1