5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-[1-(3-bromanylthiophen-2-yl)ethylamino]-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2,4-difluoro-benzoic acid CAS Name: 5-[1-(3-bromo-2-thiophenyl)ethylamino]-2,4-difluorobenzoic acid IUPAC Name: 5-[1-(3-bromothiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid Traditional Name: 5-[1-(3-bromo-2-thienyl)ethylamino]-2,4-difluoro-benzoic acid Formula: C13H10BrF2NO2S MolecularWeight: 362.189806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrF2NO2S/c1-6(12-8(14)2-3-20-12)17-11-4-7(13(18)19)9(15)5-10(11)16/h2-6,17H,1H3,(H,18,19)