[3-ethoxycarbonyl-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [3-ethoxycarbonyl-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [3-ethoxycarbonyl-5-hydroxy-2-(2-pyridylsulfanylmethyl)benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [3-ethoxycarbonyl-5-hydroxy-2-[(2-pyridinylthio)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [3-ethoxycarbonyl-5-hydroxy-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-5-hydroxy-2-[(2-pyridylthio)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C20H23N2O4S+ MolecularWeight: 387.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)CSC3=CC=CC=N3

InChI

InChI=1S/C20H22N2O4S/c1-4-25-20(24)19-16(12-27-17-7-5-6-10-21-17)26-15-9-8-14(23)13(18(15)19)11-22(2)3/h5-10,23H,4,11-12H2,1-3H3/p+1