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

Systemtic Name: 5-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]pentanoic acid Openeye Name: 5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid CAS Name: 5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid IUPAC Name: 5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid Traditional Name: 5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)valeric acid Formula: C12H10F3NO2S MolecularWeight: 289.27351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO2S/c13-6-5-7(14)12-11(10(6)15)16-8(19-12)3-1-2-4-9(17)18/h5H,1-4H2,(H,17,18)