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

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-3-19(13-8-5-4-6-9-13)15(20)12-22-17(21)14-10-7-11-18-16(14)23-2/h7,10-11,13H,3-6,8-9,12H2,1-2H3