[3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-ethoxycarbonyl-2-[[(4-ethoxyphenyl)thio]methyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-carbethoxy-5-hydroxy-2-[(p-phenetylthio)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C23H28ClNO5S MolecularWeight: 465.99012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3C[NH+](C)C)O)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3C[NH+](C)C)O)C(=O)OCC.[Cl-]

InChI

InChI=1S/C23H27NO5S.ClH/c1-5-27-15-7-9-16(10-8-15)30-14-20-22(23(26)28-6-2)21-17(13-24(3)4)18(25)11-12-19(21)29-20;/h7-12,25H,5-6,13-14H2,1-4H3;1H