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

Systemtic Name: ethyl 2-[6-(5-cyano-2-phenylmethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(2-benzyloxy-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(5-cyano-2-phenylmethoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(5-cyano-2-phenylmethoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(2-benzoxy-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C23H20N4O7S MolecularWeight: 496.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)SC

InChI

InChI=1S/C23H20N4O7S/c1-3-31-19(28)14-33-21-20(27(29)30)22(26-23(25-21)35-2)34-18-11-16(12-24)9-10-17(18)32-13-15-7-5-4-6-8-15/h4-11H,3,13-14H2,1-2H3