ethyl 5-cyano-6-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-3-27-20(26)17-11-15(12-22)19(23-14(17)2)28-13-18(25)24(10-9-21)16-7-5-4-6-8-16/h4-8,11H,3,10,13H2,1-2H3