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

Systemtic Name: 2-[(3-chloranyl-2-sulfanyl-phenyl)carbonyl-(furan-2-yl)amino]ethanoic acid Openeye Name: 2-[(3-chloro-2-sulfanyl-benzoyl)-(2-furyl)amino]acetic acid CAS Name: 2-[[(3-chloro-2-mercaptophenyl)-oxomethyl]-(2-furanyl)amino]acetic acid IUPAC Name: 2-[(3-chloro-2-sulfanylbenzoyl)-(furan-2-yl)amino]acetic acid Traditional Name: 2-[(3-chloro-2-mercapto-benzoyl)-(2-furyl)amino]acetic acid Formula: C13H10ClNO4S MolecularWeight: 311.7408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)S)C(=O)N(CC(=O)O)C2=CC=CO2

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)S)C(=O)N(CC(=O)O)C2=CC=CO2

InChI

InChI=1S/C13H10ClNO4S/c14-9-4-1-3-8(12(9)20)13(18)15(7-11(16)17)10-5-2-6-19-10/h1-6,20H,7H2,(H,16,17)