methyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenyl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenyl-cyclopentanecarboxylate CAS Name: (1R,2R,4R)-2-[dimethylamino(sulfanylidene)methyl]-4-phenyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenylcyclopentane-1-carboxylate Traditional Name: (1R,2R,4R)-2-(dimethylthiocarbamoyl)-4-phenyl-cyclopentanecarboxylic acid methyl ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)C1CC(CC1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-17(2)15(20)13-9-12(10-14(13)16(18)19-3)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3/t12-,13+,14+/m0/s1