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

Systemtic Name: ethyl 2-[[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(4-cyano-3-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(4-cyano-3-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(4-cyano-3-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5S/c1-4-26-13(23)9-19-15-14(22(24)25)16(21-17(20-15)28-3)27-12-6-5-11(8-18)10(2)7-12/h5-7H,4,9H2,1-3H3,(H,19,20,21)