tert-butyl 4-cyano-2-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoate

Systemtic Name: tert-butyl 4-cyano-2-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoate Openeye Name: tert-butyl 4-cyano-2-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoate CAS Name: 4-cyano-2-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-2-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-cyano-2-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzoic acid tert-butyl ester Formula: C21H23N5O7S MolecularWeight: 489.50162

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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)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O7S/c1-6-31-15(27)11-23-17-16(26(29)30)18(25-20(24-17)34-5)32-14-9-12(10-22)7-8-13(14)19(28)33-21(2,3)4/h7-9H,6,11H2,1-5H3,(H,23,24,25)