(Z)-2-(1-benzothiophen-2-yl)-3-[2-[2,2-bis(fluoranyl)ethoxy]-3-tert-butyl-5-phenyl-phenyl]but-2-enoic acid

Systemtic Name: (Z)-2-(1-benzothiophen-2-yl)-3-[2-[2,2-bis(fluoranyl)ethoxy]-3-tert-butyl-5-phenyl-phenyl]but-2-enoic acid Openeye Name: (Z)-2-(benzothiophen-2-yl)-3-[3-tert-butyl-2-(2,2-difluoroethoxy)-5-phenyl-phenyl]but-2-enoic acid CAS Name: (Z)-2-(1-benzothiophen-2-yl)-3-[3-tert-butyl-2-(2,2-difluoroethoxy)-5-phenylphenyl]-2-butenoic acid IUPAC Name: (Z)-2-(1-benzothiophen-2-yl)-3-[3-tert-butyl-2-(2,2-difluoroethoxy)-5-phenylphenyl]but-2-enoic acid Traditional Name: (Z)-2-(benzothiophen-2-yl)-3-[3-tert-butyl-2-(2,2-difluoroethoxy)-5-phenyl-phenyl]but-2-enoic acid Formula: C30H28F2O3S MolecularWeight: 506.603326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC2=CC=CC=C2S1)C(=O)O)C3=C(C(=CC(=C3)C4=CC=CC=C4)C(C)(C)C)OCC(F)F

Isomeric SMILES

C/C(=C(/C1=CC2=CC=CC=C2S1)\C(=O)O)/C3=C(C(=CC(=C3)C4=CC=CC=C4)C(C)(C)C)OCC(F)F

InChI

InChI=1S/C30H28F2O3S/c1-18(27(29(33)34)25-16-20-12-8-9-13-24(20)36-25)22-14-21(19-10-6-5-7-11-19)15-23(30(2,3)4)28(22)35-17-26(31)32/h5-16,26H,17H2,1-4H3,(H,33,34)/b27-18+