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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-phenoxyethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)COC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)COC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-22-20(27)21(16-8-7-13-23-14-16)12-6-5-11-18(21)26-19(24)15-25-17-9-3-2-4-10-17/h2-4,7-10,13-14,18H,5-6,11-12,15H2,1H3,(H,22,27)/t18-,21+/m1/s1