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

Systemtic Name: ethyl 5-cyano-6-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-3-28-21(27)18-12-16(13-23)20(24-15(18)2)29-14-19(26)25(11-7-10-22)17-8-5-4-6-9-17/h4-6,8-9,12H,3,7,11,14H2,1-2H3