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

Systemtic Name: ethyl 2-[[6-(3-cyano-5-phenoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-cyano-5-phenoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-cyano-5-phenoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-cyano-5-phenoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-cyano-5-phenoxy-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C22H19N5O6S MolecularWeight: 481.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O6S/c1-3-31-18(28)13-24-20-19(27(29)30)21(26-22(25-20)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,(H,24,25,26)