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

Systemtic Name: ethyl 2-[[6-(5-cyano-2-phenylmethoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(2-benzyloxy-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(5-cyano-2-phenylmethoxyphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(5-cyano-2-phenylmethoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(2-benzoxy-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C23H21N5O6S MolecularWeight: 495.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O6S/c1-3-32-19(29)13-25-21-20(28(30)31)22(27-23(26-21)35-2)34-18-11-16(12-24)9-10-17(18)33-14-15-7-5-4-6-8-15/h4-11H,3,13-14H2,1-2H3,(H,25,26,27)