(E)-3-[4-[[4-[3-[3-(3,3-dimethylbutoxy)propyl]-2-methoxy-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-methoxy-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-methoxy-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-methoxyphenyl]-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-methoxyphenyl]-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-methoxy-phenyl]thiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C30H34F2N2O5S MolecularWeight: 572.663166

Click to see the large picture

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)OC)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)OC)F)/C(=O)O

InChI

InChI=1S/C30H34F2N2O5S/c1-18(28(36)37)14-22-23(31)15-20(16-24(22)32)27(35)34-29-33-25(17-40-29)21-10-6-8-19(26(21)38-5)9-7-12-39-13-11-30(2,3)4/h6,8,10,14-17H,7,9,11-13H2,1-5H3,(H,36,37)(H,33,34,35)/b18-14+