ethyl (4Z)-5-cyano-4-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-6-sulfanyl-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (4Z)-5-cyano-4-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-6-sulfanyl-1H-pyridine-3-carboxylate Openeye Name: ethyl (4Z)-5-cyano-4-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-6-sulfanyl-1H-pyridine-3-carboxylate CAS Name: (4Z)-5-cyano-6-mercapto-4-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-phenyl-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-5-cyano-4-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-6-sulfanyl-1H-pyridine-3-carboxylate Traditional Name: (4Z)-5-cyano-4-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-6-mercapto-2-phenyl-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1=C2C=CC(=O)C(=C2)OC)C#N)S)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=C(NC(=C(/C1=C\2/C=CC(=O)C(=C2)OC)C#N)S)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-3-28-22(26)19-18(14-9-10-16(25)17(11-14)27-2)15(12-23)21(29)24-20(19)13-7-5-4-6-8-13/h4-11,24,29H,3H2,1-2H3/b18-14+