3-(dimethylcarbamoyl)-5-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid

Systemtic Name: 3-(dimethylcarbamoyl)-5-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 3-(dimethylcarbamoyl)-5-[6-(2-ethoxy-2-oxo-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 3-[dimethylamino(oxo)methyl]-5-[[6-(2-ethoxy-2-oxoethoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 3-(dimethylcarbamoyl)-5-[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 3-(dimethylcarbamoyl)-5-[6-(2-ethoxy-2-keto-ethoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C19H20N4O9S MolecularWeight: 480.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)O)C(=O)N(C)C)SC

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)O)C(=O)N(C)C)SC

InChI

InChI=1S/C19H20N4O9S/c1-5-30-13(24)9-31-15-14(23(28)29)16(21-19(20-15)33-4)32-12-7-10(17(25)22(2)3)6-11(8-12)18(26)27/h6-8H,5,9H2,1-4H3,(H,26,27)