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

Systemtic Name: 2-[(3-chloranyl-2-sulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[(3-chloro-2-sulfanyl-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[(3-chloro-2-mercaptophenyl)-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(3-chloro-2-sulfanylbenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[(3-chloro-2-mercapto-benzoyl)-cyclopentyl-amino]acetic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)