2-phenylsulfanyl-2-quinolin-3-yl-3-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]propanoic acid

Systemtic Name: 2-phenylsulfanyl-2-quinolin-3-yl-3-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]propanoic acid Openeye Name: 2-phenylsulfanyl-2-(3-quinolyl)-3-(2,2,2-trifluoro-1-phenyl-ethoxy)propanoic acid CAS Name: 2-(phenylthio)-2-(3-quinolinyl)-3-(2,2,2-trifluoro-1-phenylethoxy)propanoic acid IUPAC Name: 2-phenylsulfanyl-2-quinolin-3-yl-3-(2,2,2-trifluoro-1-phenylethoxy)propanoic acid Traditional Name: 2-(phenylthio)-2-(3-quinolyl)-3-(2,2,2-trifluoro-1-phenyl-ethoxy)propionic acid Formula: C26H20F3NO3S MolecularWeight: 483.50211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(F)(F)F)OCC(C2=CC3=CC=CC=C3N=C2)(C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(F)(F)F)OCC(C2=CC3=CC=CC=C3N=C2)(C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO3S/c27-26(28,29)23(18-9-3-1-4-10-18)33-17-25(24(31)32,34-21-12-5-2-6-13-21)20-15-19-11-7-8-14-22(19)30-16-20/h1-16,23H,17H2,(H,31,32)