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

Systemtic Name: ethyl 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-cyano-5-ethoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OCC(=O)OCC)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OCC(=O)OCC)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O7S/c1-4-26-12-6-11(9-19)7-13(8-12)29-17-15(22(24)25)16(20-18(21-17)30-3)28-10-14(23)27-5-2/h6-8H,4-5,10H2,1-3H3