(E)-3-[4-[[4-[3-(3,3-dimethylbutyl)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-(3,3-dimethylbutyl)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-(3,3-dimethylbutyl)phenyl]-5-methoxy-thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C27H28F2N2O4S MolecularWeight: 514.584026

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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)CCC(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)CCC(C)(C)C)F)/C(=O)O

InChI

InChI=1S/C27H28F2N2O4S/c1-15(24(33)34)11-19-20(28)13-18(14-21(19)29)23(32)31-26-30-22(25(35-5)36-26)17-8-6-7-16(12-17)9-10-27(2,3)4/h6-8,11-14H,9-10H2,1-5H3,(H,33,34)(H,30,31,32)/b15-11+