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

Systemtic Name: tert-butyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenyl-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenyl-cyclopentanecarboxylate CAS Name: (1R,2R,4R)-2-[dimethylamino(sulfanylidene)methyl]-4-phenyl-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,4R)-2-(dimethylcarbamothioyl)-4-phenylcyclopentane-1-carboxylate Traditional Name: (1R,2R,4R)-2-(dimethylthiocarbamoyl)-4-phenyl-cyclopentanecarboxylic acid tert-butyl ester Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2S/c1-19(2,3)22-18(21)16-12-14(13-9-7-6-8-10-13)11-15(16)17(23)20(4)5/h6-10,14-16H,11-12H2,1-5H3/t14-,15+,16+/m0/s1