[(1R,2S,3R)-3-[(4-bromophenyl)carbonylamino]-2-methylsulfanyl-cyclopentyl] ethanoate

Systemtic Name: [(1R,2S,3R)-3-[(4-bromophenyl)carbonylamino]-2-methylsulfanyl-cyclopentyl] ethanoate Openeye Name: [(1R,2S,3R)-3-[(4-bromobenzoyl)amino]-2-methylsulfanyl-cyclopentyl] acetate CAS Name: acetic acid [(1R,2S,3R)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-(methylthio)cyclopentyl] ester IUPAC Name: [(1R,2S,3R)-3-[(4-bromobenzoyl)amino]-2-methylsulfanylcyclopentyl] acetate Traditional Name: acetic acid [(1R,2S,3R)-3-[(4-bromobenzoyl)amino]-2-(methylthio)cyclopentyl] ester Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C1SC)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@H]([C@@H]1SC)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrNO3S/c1-9(18)20-13-8-7-12(14(13)21-2)17-15(19)10-3-5-11(16)6-4-10/h3-6,12-14H,7-8H2,1-2H3,(H,17,19)/t12-,13-,14+/m1/s1