ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O3S/c1-2-29-22(28)19-18(15-9-6-10-25-12-15)16(11-23)21(30-13-17(24)27)26-20(19)14-7-4-3-5-8-14/h3-10,12,18,26H,2,13H2,1H3,(H2,24,27)