ethyl 2-oxidanylidene-4-phenyl-1-(phenylcarbonyl)-6-sulfanyl-5-thiocyanato-pyridine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-1-(phenylcarbonyl)-6-sulfanyl-5-thiocyanato-pyridine-3-carboxylate Openeye Name: ethyl 1-benzoyl-2-oxo-4-phenyl-6-sulfanyl-5-thiocyanato-pyridine-3-carboxylate CAS Name: 1-benzoyl-6-mercapto-2-oxo-4-phenyl-5-thiocyanato-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzoyl-2-oxo-4-phenyl-6-sulfanyl-5-thiocyanatopyridine-3-carboxylate Traditional Name: 1-benzoyl-2-keto-6-mercapto-4-phenyl-5-thiocyanato-nicotinic acid ethyl ester Formula: C22H16N2O4S2 MolecularWeight: 436.50344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N(C1=O)C(=O)C2=CC=CC=C2)S)SC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N(C1=O)C(=O)C2=CC=CC=C2)S)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H16N2O4S2/c1-2-28-22(27)17-16(14-9-5-3-6-10-14)18(30-13-23)21(29)24(20(17)26)19(25)15-11-7-4-8-12-15/h3-12,29H,2H2,1H3