[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H22N2O3S/c1-11-5-7-12(8-6-11)18-14(19)10-21-16(20)13-4-3-9-17-15(13)22-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,19)