[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-cyanoethanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-cyanoethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)CC#N)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)CC#N)C2=CN=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-18-15(22)16(12-5-4-10-19-11-12)8-3-2-6-13(16)21-14(20)7-9-17/h4-5,10-11,13H,2-3,6-8H2,1H3,(H,18,22)/t13-,16+/m1/s1