2-[[6-bromanyl-3-ethoxycarbonyl-2-(phenylsulfanylmethyl)-1-benzofuran-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-3-ethoxycarbonyl-2-(phenylsulfanylmethyl)-1-benzofuran-5-yl]oxy]ethanoic acid Openeye Name: 2-[6-bromo-3-ethoxycarbonyl-2-(phenylsulfanylmethyl)benzofuran-5-yl]oxyacetic acid CAS Name: 2-[[6-bromo-3-ethoxycarbonyl-2-[(phenylthio)methyl]-5-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[6-bromo-3-ethoxycarbonyl-2-(phenylsulfanylmethyl)-1-benzofuran-5-yl]oxy]acetic acid Traditional Name: 2-[6-bromo-3-carbethoxy-2-[(phenylthio)methyl]benzofuran-5-yl]oxyacetic acid Formula: C20H17BrO6S MolecularWeight: 465.31438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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