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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H22N2O3S/c1-18(12-7-4-3-5-8-12)14(19)11-21-16(20)13-9-6-10-17-15(13)22-2/h6,9-10,12H,3-5,7-8,11H2,1-2H3