2-ethyl-5-[3-[2-propyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 2-ethyl-5-[3-[2-propyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid Openeye Name: 2-ethyl-5-[3-[2-propyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-3H-benzofuran-2-carboxylic acid CAS Name: 2-ethyl-5-[3-[2-propyl-4-(trifluoromethylthio)phenoxy]propoxy]-3H-benzofuran-2-carboxylic acid IUPAC Name: 2-ethyl-5-[3-[2-propyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-3H-1-benzofuran-2-carboxylic acid Traditional Name: 2-ethyl-5-[3-[2-propyl-4-(trifluoromethylthio)phenoxy]propoxy]coumaran-2-carboxylic acid Formula: C24H27F3O5S MolecularWeight: 484.52839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SC(F)(F)F)OCCCOC2=CC3=C(C=C2)OC(C3)(CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)SC(F)(F)F)OCCCOC2=CC3=C(C=C2)OC(C3)(CC)C(=O)O

InChI

InChI=1S/C24H27F3O5S/c1-3-6-16-14-19(33-24(25,26)27)8-10-20(16)31-12-5-11-30-18-7-9-21-17(13-18)15-23(4-2,32-21)22(28)29/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,28,29)