ethyl (1R,2S)-2-[methylcarbamothioyl-(phenylmethyl)amino]cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-[methylcarbamothioyl-(phenylmethyl)amino]cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-[benzyl(methylcarbamothioyl)amino]cyclopentanecarboxylate CAS Name: (1R,2S)-2-[[methylamino(sulfanylidene)methyl]-(phenylmethyl)amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-[benzyl(methylcarbamothioyl)amino]cyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-[benzyl(methylthiocarbamoyl)amino]cyclopentanecarboxylic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC1N(CC2=CC=CC=C2)C(=S)NC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H]1N(CC2=CC=CC=C2)C(=S)NC

InChI

InChI=1S/C17H24N2O2S/c1-3-21-16(20)14-10-7-11-15(14)19(17(22)18-2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,18,22)/t14-,15+/m1/s1