3-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]propanoic acid

Systemtic Name: 3-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoic acid CAS Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)propionic acid Formula: C10H6F3NO2S MolecularWeight: 261.22035

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=C1F)SC(=N2)CCC(=O)O)F)F

Isomeric SMILES

C1=C(C(=C2C(=C1F)SC(=N2)CCC(=O)O)F)F

InChI

InChI=1S/C10H6F3NO2S/c11-4-3-5(12)10-9(8(4)13)14-6(17-10)1-2-7(15)16/h3H,1-2H2,(H,15,16)