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

Systemtic Name: 2-[[3-(3,3-diphenylpropylsulfanylmethyl)-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[3-(3,3-diphenylpropylsulfanylmethyl)benzofuran-7-yl]oxyacetate CAS Name: 2-[[3-[(3,3-diphenylpropylthio)methyl]-7-benzofuranyl]oxy]acetate IUPAC Name: 2-[[3-(3,3-diphenylpropylsulfanylmethyl)-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[(3,3-diphenylpropylthio)methyl]benzofuran-7-yl]oxyacetate Formula: C26H23O4S- MolecularWeight: 431.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSCC2=COC3=C2C=CC=C3OCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCSCC2=COC3=C2C=CC=C3OCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-23-21(16-30-26(23)24)18-31-15-14-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,22H,14-15,17-18H2,(H,27,28)/p-1