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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(2-methylcyclohexyl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCCC2C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCCC2C)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-19(24)15-9-14(10-20)18(21-13(15)3)26-11-17(23)22-16-8-6-5-7-12(16)2/h9,12,16H,4-8,11H2,1-3H3,(H,22,23)