2-[4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methylthio]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[4-[[4-(4-fluorophenyl)piperazino]methyl]-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methylthio]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C33H33F4N3O3S2 MolecularWeight: 659.757033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C5=CC=C(C=C5)F)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C5=CC=C(C=C5)F)OC(C)(C)C(=O)O

InChI

InChI=1S/C33H33F4N3O3S2/c1-21-18-26(12-13-28(21)43-32(2,3)31(41)42)44-20-29-27(38-30(45-29)22-4-6-23(7-5-22)33(35,36)37)19-39-14-16-40(17-15-39)25-10-8-24(34)9-11-25/h4-13,18H,14-17,19-20H2,1-3H3,(H,41,42)