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

Systemtic Name: 2-[cyclopentyl-(2-ethanoylsulfanyl-3-methyl-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[(2-acetylsulfanyl-3-methyl-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-3-methylphenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(2-acetylsulfanyl-3-methylbenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-3-methyl-benzoyl]-cyclopentyl-amino]acetic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SC(=O)C)C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1SC(=O)C)C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C17H21NO4S/c1-11-6-5-9-14(16(11)23-12(2)19)17(22)18(10-15(20)21)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,20,21)