[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H26N2O3S/c1-11-7-5-9-15(12(11)2)20-16(21)13(3)23-18(22)14-8-6-10-19-17(14)24-4/h6,8,10-13,15H,5,7,9H2,1-4H3,(H,20,21)