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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H22N2O3S/c1-11-6-3-4-8-13(11)18-14(19)10-21-16(20)12-7-5-9-17-15(12)22-2/h5,7,9,11,13H,3-4,6,8,10H2,1-2H3,(H,18,19)