[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(N=CC=C1)SC)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(N=CC=C1)SC)C2(CCCCC2)C#N

InChI

InChI=1S/C17H21N3O3S/c1-20(17(12-18)8-4-3-5-9-17)14(21)11-23-16(22)13-7-6-10-19-15(13)24-2/h6-7,10H,3-5,8-9,11H2,1-2H3