[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=C(N=CC=C2)SC

InChI

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