2-[1-[[1-[3-[(E)-2-[2,3-bis(fluoranyl)thieno[3,2-b]pyridin-5-yl]ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid

Systemtic Name: 2-[1-[[1-[3-[(E)-2-[2,3-bis(fluoranyl)thieno[3,2-b]pyridin-5-yl]ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid Openeye Name: 2-[1-[[1-[3-[(E)-2-(2,3-difluorothieno[3,2-b]pyridin-5-yl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid CAS Name: 2-[1-[[[1-[3-[(E)-2-(2,3-difluoro-5-thieno[3,2-b]pyridinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid IUPAC Name: 2-[1-[[1-[3-[(E)-2-(2,3-difluorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid Traditional Name: 2-[1-[[[1-[3-[(E)-2-(2,3-difluorothieno[3,2-b]pyridin-5-yl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid Formula: C33H33F2NO3S2 MolecularWeight: 593.746826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=C3)SC(=C4F)F)SCC5(CC5)CC(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)/C=C/C3=NC4=C(C=C3)SC(=C4F)F)SCC5(CC5)CC(=O)O)O

InChI

InChI=1S/C33H33F2NO3S2/c1-32(2,39)25-9-4-3-7-22(25)11-14-26(40-20-33(16-17-33)19-28(37)38)23-8-5-6-21(18-23)10-12-24-13-15-27-30(36-24)29(34)31(35)41-27/h3-10,12-13,15,18,26,39H,11,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-10+