2-[6-ethyl-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-ethyl-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-ethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridyl]acetic acid CAS Name: 2-[6-ethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-ethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-ethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridyl]acetic acid Formula: C17H13F3N2O2S MolecularWeight: 366.35753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=N1)CC(=O)O)CC2=NC3=C(C(=CC(=C3S2)F)F)F

Isomeric SMILES

CCC1=C(C=C(C=N1)CC(=O)O)CC2=NC3=C(C(=CC(=C3S2)F)F)F

InChI

InChI=1S/C17H13F3N2O2S/c1-2-12-9(3-8(7-21-12)4-14(23)24)5-13-22-16-15(20)10(18)6-11(19)17(16)25-13/h3,6-7H,2,4-5H2,1H3,(H,23,24)