(E)-3-[4-[[4-[3-[3-(3,3-dimethylbutoxy)propyl]-2-fluoranyl-phenyl]-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-(3,3-dimethylbutoxy)propyl]-2-fluoranyl-phenyl]-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-(3,3-dimethylbutoxy)propyl]-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-[3-(3,3-dimethylbutoxy)propyl]-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-[3-(3,3-dimethylbutoxy)propyl]-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-[3-(3,3-dimethylbutoxy)propyl]-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C29H31F3N2O4S MolecularWeight: 560.62765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1F)C(=O)NC2=NC(=CS2)C3=C(C(=CC=C3)CCCOCCC(C)(C)C)F)F)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1F)C(=O)NC2=NC(=CS2)C3=C(C(=CC=C3)CCCOCCC(C)(C)C)F)F)/C(=O)O

InChI

InChI=1S/C29H31F3N2O4S/c1-17(27(36)37)13-21-22(30)14-19(15-23(21)31)26(35)34-28-33-24(16-39-28)20-9-5-7-18(25(20)32)8-6-11-38-12-10-29(2,3)4/h5,7,9,13-16H,6,8,10-12H2,1-4H3,(H,36,37)(H,33,34,35)/b17-13+