2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-oxidanyl-butanoic acid

Systemtic Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 2-[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butanoic acid CAS Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 2-[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-hydroxybutanoic acid Traditional Name: 2-[6-(3-carbethoxy-5-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butyric acid Formula: C19H21N3O9S MolecularWeight: 467.44974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(C(C)O)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(C(C)O)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O9S/c1-5-29-18(26)11-6-9(2)7-12(8-11)30-15-13(22(27)28)16(21-19(20-15)32-4)31-14(10(3)23)17(24)25/h6-8,10,14,23H,5H2,1-4H3,(H,24,25)