2-[[3,4-bis(fluoranyl)phenyl]-methanoyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]-methanoyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(3,4-difluoro-N-formyl-anilino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(3,4-difluoro-N-formylanilino)-4-(methylthio)butanoic acid IUPAC Name: 2-(3,4-difluoro-N-formylanilino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(3,4-difluoro-N-formyl-anilino)-4-(methylthio)butyric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N(C=O)C1=CC(=C(C=C1)F)F

Isomeric SMILES

CSCCC(C(=O)O)N(C=O)C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C12H13F2NO3S/c1-19-5-4-11(12(17)18)15(7-16)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5H2,1H3,(H,17,18)