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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-methoxyethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)COC)C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-17-15(22)16(12-6-5-9-18-10-12)8-4-3-7-13(16)21-14(19)11-20-2/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,22)/t13-,16+/m1/s1