[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-(oxan-2-yloxy)ethanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-(oxan-2-yloxy)ethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-tetrahydropyran-2-yloxyacetate CAS Name: 2-(2-oxanyloxy)acetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-(oxan-2-yloxy)acetate Traditional Name: 2-tetrahydropyran-2-yloxyacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)COC2CCCCO2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)COC2CCCCO2)C3=CN=CC=C3

InChI

InChI=1S/C20H28N2O4S/c1-21-19(27)20(15-7-6-11-22-13-15)10-4-2-8-16(20)26-17(23)14-25-18-9-3-5-12-24-18/h6-7,11,13,16,18H,2-5,8-10,12,14H2,1H3,(H,21,27)/t16-,18?,20+/m1/s1