2-[4-[3-(6-fluoranyl-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(6-fluoranyl-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(6-fluoro-3-methyl-benzothiophen-2-yl)heptylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(6-fluoro-3-methyl-1-benzothiophen-2-yl)heptylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(6-fluoro-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(6-fluoro-3-methyl-benzothiophen-2-yl)heptylthio]-2-methyl-phenoxy]acetic acid Formula: C25H29FO3S2 MolecularWeight: 460.624363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CCCCC(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C25H29FO3S2/c1-4-5-6-18(25-17(3)21-9-7-19(26)14-23(21)31-25)11-12-30-20-8-10-22(16(2)13-20)29-15-24(27)28/h7-10,13-14,18H,4-6,11-12,15H2,1-3H3,(H,27,28)