ethyl 6-bromanyl-5-[2-(dioxidanyl)ethanoyl]-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-[2-(dioxidanyl)ethanoyl]-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2-hydroperoxyacetyl)-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-(2-hydroperoxy-1-oxoethyl)-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2-hydroperoxyacetyl)-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-hydroperoxyacetyl)-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C20H17BrO6S MolecularWeight: 465.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)C(=O)COO)Br)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)C(=O)COO)Br)CSC3=CC=CC=C3

InChI

InChI=1S/C20H17BrO6S/c1-2-25-20(23)19-14-8-13(16(22)10-26-24)15(21)9-17(14)27-18(19)11-28-12-6-4-3-5-7-12/h3-9,24H,2,10-11H2,1H3