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

Systemtic Name: methyl (1R,2R,4R)-2-(tert-butylcarbamothioyl)-4-phenyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2R,4R)-2-(tert-butylcarbamothioyl)-4-phenyl-cyclopentanecarboxylate CAS Name: (1R,2R,4R)-2-[(tert-butylamino)-sulfanylidenemethyl]-4-phenyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4R)-2-(tert-butylcarbamothioyl)-4-phenylcyclopentane-1-carboxylate Traditional Name: (1R,2R,4R)-2-(tert-butylthiocarbamoyl)-4-phenyl-cyclopentanecarboxylic acid methyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2S/c1-18(2,3)19-16(22)14-10-13(11-15(14)17(20)21-4)12-8-6-5-7-9-12/h5-9,13-15H,10-11H2,1-4H3,(H,19,22)/t13-,14+,15+/m0/s1