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

Systemtic Name: 2-[1-[[3-[2-(2-oxidanylpropan-2-yl)phenyl]-1-[3-[(E)-2-thieno[3,2-b]pyridin-5-ylethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid Openeye Name: 2-[1-[[3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]-1-[3-[(E)-2-thieno[3,2-b]pyridin-5-ylvinyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid CAS Name: 2-[1-[[[3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(5-thieno[3,2-b]pyridinyl)ethenyl]phenyl]propyl]thio]methyl]cyclopropyl]acetic acid IUPAC Name: 2-[1-[[3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-thieno[3,2-b]pyridin-5-ylethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid Traditional Name: 2-[1-[[[3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]-1-[3-[(E)-2-thieno[3,2-b]pyridin-5-ylvinyl]phenyl]propyl]thio]methyl]cyclopropyl]acetic acid Formula: C33H35NO3S2 MolecularWeight: 557.7659

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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=C4)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=C4)SCC5(CC5)CC(=O)O)O

InChI

InChI=1S/C33H35NO3S2/c1-32(2,37)27-9-4-3-7-24(27)11-14-29(39-22-33(17-18-33)21-31(35)36)25-8-5-6-23(20-25)10-12-26-13-15-30-28(34-26)16-19-38-30/h3-10,12-13,15-16,19-20,29,37H,11,14,17-18,21-22H2,1-2H3,(H,35,36)/b12-10+