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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-oxidanylethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-hydroxyacetate CAS Name: 2-hydroxyacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-hydroxyacetate Traditional Name: 2-hydroxyacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-16-14(21)15(11-5-4-8-17-9-11)7-3-2-6-12(15)20-13(19)10-18/h4-5,8-9,12,18H,2-3,6-7,10H2,1H3,(H,16,21)/t12-,15+/m1/s1