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

Systemtic Name: methyl 2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: methyl 2-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]benzofuran-7-yl]oxyacetate CAS Name: 2-[[3-[2-(1,1-diphenylethylthio)ethyl]-7-benzofuranyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[2-(1,1-diphenylethylthio)ethyl]benzofuran-7-yl]oxyacetic acid methyl ester Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3=COC4=C3C=CC=C4OCC(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3=COC4=C3C=CC=C4OCC(=O)OC

InChI

InChI=1S/C27H26O4S/c1-27(21-10-5-3-6-11-21,22-12-7-4-8-13-22)32-17-16-20-18-31-26-23(20)14-9-15-24(26)30-19-25(28)29-2/h3-15,18H,16-17,19H2,1-2H3