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

Systemtic Name: 2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetate CAS Name: 2-[[3-[2-(1,1-diphenylethylthio)ethyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetate IUPAC Name: 2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[2-(1,1-diphenylethylthio)ethyl]coumaran-7-yl]oxyacetate Formula: C26H25O4S- MolecularWeight: 433.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4OCC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4OCC(=O)[O-]

InChI

InChI=1S/C26H26O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,19H,15-18H2,1H3,(H,27,28)/p-1