5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2-fluoro-benzoic acid CAS Name: 5-[1-(3-bromo-2-thiophenyl)ethylamino]-2-fluorobenzoic acid IUPAC Name: 5-[1-(3-bromothiophen-2-yl)ethylamino]-2-fluorobenzoic acid Traditional Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2-fluoro-benzoic acid Formula: C13H11BrFNO2S MolecularWeight: 344.199343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)Br)NC2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C1=C(C=CS1)Br)NC2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H11BrFNO2S/c1-7(12-10(14)4-5-19-12)16-8-2-3-11(15)9(6-8)13(17)18/h2-7,16H,1H3,(H,17,18)