2-[(3-chloranyl-6-oxidanyl-2-sulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-6-oxidanyl-2-sulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[(3-chloro-6-hydroxy-2-sulfanyl-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[(3-chloro-6-hydroxy-2-mercaptophenyl)-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(3-chloro-6-hydroxy-2-sulfanylbenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[(3-chloro-6-hydroxy-2-mercapto-benzoyl)-cyclopentyl-amino]acetic acid Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2S)Cl)O

Isomeric SMILES

C1CCC(C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2S)Cl)O

InChI

InChI=1S/C14H16ClNO4S/c15-9-5-6-10(17)12(13(9)21)14(20)16(7-11(18)19)8-3-1-2-4-8/h5-6,8,17,21H,1-4,7H2,(H,18,19)