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

Systemtic Name: 3-[(5-bromanylthiophen-3-yl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(5-bromo-3-thienyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(5-bromo-3-thiophenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(5-bromothiophen-3-yl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(5-bromo-3-thienyl)methylamino]-4-fluoro-benzoic acid Formula: C12H9BrFNO2S MolecularWeight: 330.172763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NCC2=CSC(=C2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NCC2=CSC(=C2)Br)F

InChI

InChI=1S/C12H9BrFNO2S/c13-11-3-7(6-18-11)5-15-10-4-8(12(16)17)1-2-9(10)14/h1-4,6,15H,5H2,(H,16,17)