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

Systemtic Name: ethyl 2-[6-(3-cyano-5-phenoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-cyano-5-phenoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-cyano-5-phenoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-cyano-5-phenoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-cyano-5-phenoxy-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C22H18N4O7S MolecularWeight: 482.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)SC

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)SC

InChI

InChI=1S/C22H18N4O7S/c1-3-30-18(27)13-31-20-19(26(28)29)21(25-22(24-20)34-2)33-17-10-14(12-23)9-16(11-17)32-15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3