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

Systemtic Name: 5-[(4-bromanylthiophen-2-yl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(4-bromo-2-thienyl)methylamino]-2-fluoro-benzoic acid CAS Name: 5-[(4-bromo-2-thiophenyl)methylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid Traditional Name: 5-[(4-bromo-2-thienyl)methylamino]-2-fluoro-benzoic acid Formula: C12H9BrFNO2S MolecularWeight: 330.172763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CC(=CS2)Br)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CC(=CS2)Br)C(=O)O)F

InChI

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