(E)-3-[4-[[4-(3-dec-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-dec-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-dec-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-dec-1-ynyl-2-fluorophenyl)-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-(3-dec-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-dec-1-ynyl-2-fluoro-phenyl)thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C30H29F3N2O3S MolecularWeight: 554.62307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=C(C(=CC=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)C=C(C)C(=O)O)F)F

Isomeric SMILES

CCCCCCCCC#CC1=C(C(=CC=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)/C=C(\C)/C(=O)O)F)F

InChI

InChI=1S/C30H29F3N2O3S/c1-3-4-5-6-7-8-9-10-12-20-13-11-14-22(27(20)33)26-18-39-30(34-26)35-28(36)21-16-24(31)23(25(32)17-21)15-19(2)29(37)38/h11,13-18H,3-9H2,1-2H3,(H,37,38)(H,34,35,36)/b19-15+