5-[(5-bromanylthiophen-3-yl)methylamino]-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-[(5-bromanylthiophen-3-yl)methylamino]-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-[(5-bromo-3-thienyl)methylamino]-2,4-difluoro-benzoic acid CAS Name: 5-[(5-bromo-3-thiophenyl)methylamino]-2,4-difluorobenzoic acid IUPAC Name: 5-[(5-bromothiophen-3-yl)methylamino]-2,4-difluorobenzoic acid Traditional Name: 5-[(5-bromo-3-thienyl)methylamino]-2,4-difluoro-benzoic acid Formula: C12H8BrF2NO2S MolecularWeight: 348.163226

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NCC2=CSC(=C2)Br)F)F)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1NCC2=CSC(=C2)Br)F)F)C(=O)O

InChI

InChI=1S/C12H8BrF2NO2S/c13-11-1-6(5-19-11)4-16-10-2-7(12(17)18)8(14)3-9(10)15/h1-3,5,16H,4H2,(H,17,18)