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

Systemtic Name: 3-[(4-bromanylthiophen-2-yl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(4-bromo-2-thienyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(4-bromo-2-thiophenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(4-bromothiophen-2-yl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(4-bromo-2-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=CC(=CS2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NCC2=CC(=CS2)Br)F

InChI

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