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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[2-(methylthio)anilino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC=C2SC)C

InChI

InChI=1S/C19H19N3O3S2/c1-4-25-19(24)14-9-13(10-20)18(21-12(14)2)27-11-17(23)22-15-7-5-6-8-16(15)26-3/h5-9H,4,11H2,1-3H3,(H,22,23)