ethyl 3-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate

Systemtic Name: ethyl 3-[6-(2-ethoxy-2-oxidanylidene-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate Openeye Name: ethyl 3-[6-(2-ethoxy-2-oxo-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate CAS Name: 3-[[6-(2-ethoxy-2-oxoethoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[6-(2-ethoxy-2-oxoethoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-methylbenzoate Traditional Name: 3-[6-(2-ethoxy-2-keto-ethoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoic acid ethyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O8S/c1-5-27-14(23)10-29-16-15(22(25)26)17(21-19(20-16)31-4)30-13-8-11(3)7-12(9-13)18(24)28-6-2/h7-9H,5-6,10H2,1-4H3