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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-acetyloxyethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-acetoxyacetate CAS Name: 2-acetyloxyacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-acetyloxyacetate Traditional Name: 2-acetoxyacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)OC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

CC(=O)OCC(=O)O[C@@H]1CCCC[C@@]1(C2=CN=CC=C2)C(=S)NC

InChI

InChI=1S/C17H22N2O4S/c1-12(20)22-11-15(21)23-14-7-3-4-8-17(14,16(24)18-2)13-6-5-9-19-10-13/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,18,24)/t14-,17+/m1/s1