2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoate

Systemtic Name: 2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[3-[3-(2,2-diphenylethylsulfanyl)propyl]benzofuran-7-yl]oxyacetate CAS Name: 2-[[3-[3-(2,2-diphenylethylthio)propyl]-7-benzofuranyl]oxy]acetate IUPAC Name: 2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[3-(2,2-diphenylethylthio)propyl]benzofuran-7-yl]oxyacetate Formula: C27H25O4S- MolecularWeight: 445.55

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CSCCCC2=COC3=C2C=CC=C3OCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CSCCCC2=COC3=C2C=CC=C3OCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H26O4S/c28-26(29)18-30-25-15-7-14-23-22(17-31-27(23)25)13-8-16-32-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-12,14-15,17,24H,8,13,16,18-19H2,(H,28,29)/p-1