2-[cyclopentyl-[2-ethanoylsulfanyl-3-(trifluoromethyl)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-[2-ethanoylsulfanyl-3-(trifluoromethyl)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2-acetylsulfanyl-3-(trifluoromethyl)benzoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-3-(trifluoromethyl)phenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[2-acetylsulfanyl-3-(trifluoromethyl)benzoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-3-(trifluoromethyl)benzoyl]-cyclopentyl-amino]acetic acid Formula: C17H18F3NO4S MolecularWeight: 389.38933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C=CC=C1C(F)(F)F)C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(=O)SC1=C(C=CC=C1C(F)(F)F)C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C17H18F3NO4S/c1-10(22)26-15-12(7-4-8-13(15)17(18,19)20)16(25)21(9-14(23)24)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,23,24)