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

Systemtic Name: 2-[[3-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[[3-(2-benzhydrylsulfanylethyl)-2,3-dihydrobenzofuran-7-yl]oxy]acetate CAS Name: 2-[[3-[2-[(diphenylmethyl)thio]ethyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetate IUPAC Name: 2-[[3-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[2-(benzhydrylthio)ethyl]coumaran-7-yl]oxyacetate Formula: C25H23O4S- MolecularWeight: 419.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C(=CC=C2)OCC(=O)[O-])CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24O4S/c26-23(27)17-28-22-13-7-12-21-20(16-29-24(21)22)14-15-30-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20,25H,14-17H2,(H,26,27)/p-1