5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethylsulfanylcarbonyl-2-methyl-1-benzofuran-4-carboxylic acid

Systemtic Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethylsulfanylcarbonyl-2-methyl-1-benzofuran-4-carboxylic acid Openeye Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethylsulfanylcarbonyl-2-methyl-benzofuran-4-carboxylic acid CAS Name: 5-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-[(ethylthio)-oxomethyl]-2-methyl-4-benzofurancarboxylic acid IUPAC Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethylsulfanylcarbonyl-2-methyl-1-benzofuran-4-carboxylic acid Traditional Name: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(ethylthio)carbonyl-2-methyl-benzofuran-4-carboxylic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(OC2=C1C(=C(C=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)C

Isomeric SMILES

CCSC(=O)C1=C(OC2=C1C(=C(C=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)C

InChI

InChI=1S/C19H18N2O7S/c1-5-29-18(24)14-9(2)27-10-6-7-11(16(15(10)14)17(22)23)28-19-20-12(25-3)8-13(21-19)26-4/h6-8H,5H2,1-4H3,(H,22,23)