(E)-3-[3-[2-(3-fluoranylpropoxy)-3,5-di(propan-2-yl)phenyl]-1-benzothiophen-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[3-[2-(3-fluoranylpropoxy)-3,5-di(propan-2-yl)phenyl]-1-benzothiophen-5-yl]but-2-enoic acid Openeye Name: (E)-3-[3-[2-(3-fluoropropoxy)-3,5-diisopropyl-phenyl]benzothiophen-5-yl]but-2-enoic acid CAS Name: (E)-3-[3-[2-(3-fluoropropoxy)-3,5-di(propan-2-yl)phenyl]-1-benzothiophen-5-yl]-2-butenoic acid IUPAC Name: (E)-3-[3-[2-(3-fluoropropoxy)-3,5-di(propan-2-yl)phenyl]-1-benzothiophen-5-yl]but-2-enoic acid Traditional Name: (E)-3-[3-[2-(3-fluoropropoxy)-3,5-diisopropyl-phenyl]benzothiophen-5-yl]but-2-enoic acid Formula: C27H31FO3S MolecularWeight: 454.596643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C2=CSC3=C2C=C(C=C3)C(=CC(=O)O)C)OCCCF)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C2=CSC3=C2C=C(C=C3)/C(=C/C(=O)O)/C)OCCCF)C(C)C

InChI

InChI=1S/C27H31FO3S/c1-16(2)20-13-21(17(3)4)27(31-10-6-9-28)23(14-20)24-15-32-25-8-7-19(12-22(24)25)18(5)11-26(29)30/h7-8,11-17H,6,9-10H2,1-5H3,(H,29,30)/b18-11+