2-[2,3-dimethyl-4-[[4-(phenylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]propanoic acid

Systemtic Name: 2-[2,3-dimethyl-4-[[4-(phenylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]propanoic acid Openeye Name: 2-[4-[[4-benzyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methylsulfanyl]-2,3-dimethyl-phenoxy]propanoic acid CAS Name: 2-[2,3-dimethyl-4-[[4-(phenylmethyl)-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methylthio]phenoxy]propanoic acid IUPAC Name: 2-[4-[[4-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2,3-dimethylphenoxy]propanoic acid Traditional Name: 2-[4-[[4-benzyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methylthio]-2,3-dimethyl-phenoxy]propionic acid Formula: C29H26F3NO3S2 MolecularWeight: 557.64685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4)OC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4)OC(C)C(=O)O

InChI

InChI=1S/C29H26F3NO3S2/c1-17-18(2)25(14-13-24(17)36-19(3)28(34)35)37-16-26-23(15-20-7-5-4-6-8-20)33-27(38-26)21-9-11-22(12-10-21)29(30,31)32/h4-14,19H,15-16H2,1-3H3,(H,34,35)