2-[[2-(3-acetyloxypropyl)-3-[2-(diphenylmethyl)sulfanylethyl]-1-benzofuran-7-yl]oxy]ethanoate

Systemtic Name: 2-[[2-(3-acetyloxypropyl)-3-[2-(diphenylmethyl)sulfanylethyl]-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[2-(3-acetoxypropyl)-3-(2-benzhydrylsulfanylethyl)benzofuran-7-yl]oxyacetate CAS Name: 2-[[2-(3-acetyloxypropyl)-3-[2-[(diphenylmethyl)thio]ethyl]-7-benzofuranyl]oxy]acetate IUPAC Name: 2-[[2-(3-acetyloxypropyl)-3-(2-benzhydrylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[2-(3-acetoxypropyl)-3-[2-(benzhydrylthio)ethyl]benzofuran-7-yl]oxyacetate Formula: C30H29O6S- MolecularWeight: 517.61266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCCC1=C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30O6S/c1-21(31)34-18-9-16-26-24(25-14-8-15-27(29(25)36-26)35-20-28(32)33)17-19-37-30(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-15,30H,9,16-20H2,1H3,(H,32,33)/p-1