2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-chloro-4,5-difluoro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-chloro-4,5-difluorobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-chloro-4,5-difluoro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H12ClF2NO3S MolecularWeight: 323.743386

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1Cl)F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1Cl)F)F

InChI

InChI=1S/C12H12ClF2NO3S/c1-20-3-2-10(12(18)19)16-11(17)6-4-8(14)9(15)5-7(6)13/h4-5,10H,2-3H2,1H3,(H,16,17)(H,18,19)