ethyl 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-[3-[diethylamino(oxo)methyl]phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O7S/c1-5-23(6-2)19(26)13-9-8-10-14(11-13)31-18-16(24(27)28)17(21-20(22-18)32-4)30-12-15(25)29-7-3/h8-11H,5-7,12H2,1-4H3