ethyl 2-azanyl-5-cyano-6-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCC2=CC=CC=C2)N

InChI

InChI=1S/C19H20N4O3S/c1-2-26-19(25)15-10-14(11-20)18(23-17(15)21)27-12-16(24)22-9-8-13-6-4-3-5-7-13/h3-7,10H,2,8-9,12H2,1H3,(H2,21,23)(H,22,24)