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

Systemtic Name: [(4S)-5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-5-cyano-6-(methylthio)-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-5-cyano-2-keto-6-(methylthio)-4-(2-nitrophenyl)-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C16H14N3O5S- MolecularWeight: 360.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=C1[C@@H](C(=C(NC1=O)SC)C#N)C2=CC=CC=C2[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H15N3O5S/c1-3-24-16(21)13-12(9-6-4-5-7-11(9)19(22)23)10(8-17)15(25-2)18-14(13)20/h4-7,12,21H,3H2,1-2H3,(H,18,20)/p-1/t12-/m1/s1