(E)-3-[4-[[4-[3-(3-cyclopentylprop-1-ynyl)-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-cyclopentylprop-1-ynyl)-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-cyclopentylprop-1-ynyl)-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-cyclopentylprop-1-ynyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-(3-cyclopentylprop-1-ynyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-(3-cyclopentylprop-1-ynyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C28H23F3N2O3S MolecularWeight: 524.55403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1F)C(=O)NC2=NC(=CS2)C3=CC=CC(=C3F)C#CCC4CCCC4)F)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1F)C(=O)NC2=NC(=CS2)C3=CC=CC(=C3F)C#CCC4CCCC4)F)/C(=O)O

InChI

InChI=1S/C28H23F3N2O3S/c1-16(27(35)36)12-21-22(29)13-19(14-23(21)30)26(34)33-28-32-24(15-37-28)20-11-5-10-18(25(20)31)9-4-8-17-6-2-3-7-17/h5,10-15,17H,2-3,6-8H2,1H3,(H,35,36)(H,32,33,34)/b16-12+