[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H27N3O3S/c1-12-5-4-6-17(13(12)2)23-19(25)11-27-21(26)15-9-18(14-7-8-14)24-20(28-3)16(15)10-22/h9,12-14,17H,4-8,11H2,1-3H3,(H,23,25)