ethyl (1R,2R)-2-[(4-methylphenyl)carbamothioylamino]cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2R)-2-[(4-methylphenyl)carbamothioylamino]cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2R)-2-(p-tolylcarbamothioylamino)cyclopentanecarboxylate CAS Name: (1R,2R)-2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R)-2-[(4-methylphenyl)carbamothioylamino]cyclopentane-1-carboxylate Traditional Name: (1R,2R)-2-(p-tolylthiocarbamoylamino)cyclopentanecarboxylic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC1NC(=S)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@H]1NC(=S)NC2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-5-4-6-14(13)18-16(21)17-12-9-7-11(2)8-10-12/h7-10,13-14H,3-6H2,1-2H3,(H2,17,18,21)/t13-,14-/m1/s1