(E)-3-[4-[[4-[3-(1-cyclohexylpropoxymethyl)-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-(1-cyclohexylpropoxymethyl)-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-(1-cyclohexylpropoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-(1-cyclohexylpropoxymethyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-(1-cyclohexylpropoxymethyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-(1-cyclohexylpropoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C30H31F3N2O4S MolecularWeight: 572.63835

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)OCC2=CC=CC(=C2F)C3=CSC(=N3)NC(=O)C4=CC(=C(C(=C4)F)C=C(C)C(=O)O)F

Isomeric SMILES

CCC(C1CCCCC1)OCC2=CC=CC(=C2F)C3=CSC(=N3)NC(=O)C4=CC(=C(C(=C4)F)/C=C(\C)/C(=O)O)F

InChI

InChI=1S/C30H31F3N2O4S/c1-3-26(18-8-5-4-6-9-18)39-15-19-10-7-11-21(27(19)33)25-16-40-30(34-25)35-28(36)20-13-23(31)22(24(32)14-20)12-17(2)29(37)38/h7,10-14,16,18,26H,3-6,8-9,15H2,1-2H3,(H,37,38)(H,34,35,36)/b17-12+