2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]propylsulfanyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]propylsulfanyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]propylsulfanyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]amino]propylthio]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]propylsulfanyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[2,5-dimethyl-4-[3-[[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]propylthio]phenoxy]-2-methyl-propionic acid Formula: C25H27F3N2O3S2 MolecularWeight: 524.61869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCCCNC2=NC(=CS2)C3=CC=C(C=C3)C(F)(F)F)C)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCCCNC2=NC(=CS2)C3=CC=C(C=C3)C(F)(F)F)C)OC(C)(C)C(=O)O

InChI

InChI=1S/C25H27F3N2O3S2/c1-15-13-21(16(2)12-20(15)33-24(3,4)22(31)32)34-11-5-10-29-23-30-19(14-35-23)17-6-8-18(9-7-17)25(26,27)28/h6-9,12-14H,5,10-11H2,1-4H3,(H,29,30)(H,31,32)