(E)-3-[4-[[4-[3-[3-(2,2-dimethylpropoxy)propyl]phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(fluoranyl)phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[4-[3-[3-(2,2-dimethylpropoxy)propyl]phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(fluoranyl)phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-[[4-[3-[3-(2,2-dimethylpropoxy)propyl]phenyl]-5-methoxy-thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-[3-(2,2-dimethylpropoxy)propyl]phenyl]-5-methoxy-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-[3-(2,2-dimethylpropoxy)propyl]phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-difluoro-4-[[5-methoxy-4-[3-(3-neopentyloxypropyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C29H32F2N2O5S MolecularWeight: 558.636586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1F)C(=O)NC2=NC(=C(S2)OC)C3=CC(=CC=C3)CCCOCC(C)(C)C)F)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1F)C(=O)NC2=NC(=C(S2)OC)C3=CC(=CC=C3)CCCOCC(C)(C)C)F)/C(=O)O

InChI

InChI=1S/C29H32F2N2O5S/c1-17(26(35)36)12-21-22(30)14-20(15-23(21)31)25(34)33-28-32-24(27(37-5)39-28)19-10-6-8-18(13-19)9-7-11-38-16-29(2,3)4/h6,8,10,12-15H,7,9,11,16H2,1-5H3,(H,35,36)(H,32,33,34)/b17-12+