2-[[3,5-bis(chloranyl)-2-ethanoylsulfanyl-phenyl]carbonyl-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(chloranyl)-2-ethanoylsulfanyl-phenyl]carbonyl-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[(2-acetylsulfanyl-3,5-dichloro-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-3,5-dichlorophenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(2-acetylsulfanyl-3,5-dichlorobenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-3,5-dichloro-benzoyl]-cyclopentyl-amino]acetic acid Formula: C16H17Cl2NO4S MolecularWeight: 390.28148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2NO4S/c1-9(20)24-15-12(6-10(17)7-13(15)18)16(23)19(8-14(21)22)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H,21,22)