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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1Br)CNC2=C(C=C(C(=C2)C(=O)O)F)F

Isomeric SMILES

C1=C(SC=C1Br)CNC2=C(C=C(C(=C2)C(=O)O)F)F

InChI

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