ethyl (1R,2S)-2-(phenethylcarbamothioylamino)cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-(phenethylcarbamothioylamino)cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-(phenethylcarbamothioylamino)cyclopentanecarboxylate CAS Name: (1R,2S)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-(phenethylcarbamothioylamino)cyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-(phenethylthiocarbamoylamino)cyclopentanecarboxylic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC1NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H]1NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O2S/c1-2-21-16(20)14-9-6-10-15(14)19-17(22)18-12-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H2,18,19,22)/t14-,15+/m1/s1