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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] thiophene-2-carboxylate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CS2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)C2=CC=CS2)C3=CN=CC=C3

InChI

InChI=1S/C18H20N2O2S2/c1-19-17(23)18(13-6-4-10-20-12-13)9-3-2-8-15(18)22-16(21)14-7-5-11-24-14/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,19,23)/t15-,18+/m1/s1