2-[1-[[1-[3-[(E)-2-(2-chloranylthieno[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-chloranylthieno[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-chlorothieno[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-chloro-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-chlorothieno[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-chlorothieno[3,2-b]pyridin-5-yl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid Formula: C33H34ClNO3S2 MolecularWeight: 592.21096

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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)Cl)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)Cl)SCC5(CC5)CC(=O)O)O

InChI

InChI=1S/C33H34ClNO3S2/c1-32(2,38)26-9-4-3-7-23(26)11-14-28(39-21-33(16-17-33)20-31(36)37)24-8-5-6-22(18-24)10-12-25-13-15-29-27(35-25)19-30(34)40-29/h3-10,12-13,15,18-19,28,38H,11,14,16-17,20-21H2,1-2H3,(H,36,37)/b12-10+