tert-butyl 2-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate

Systemtic Name: tert-butyl 2-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate Openeye Name: tert-butyl 2-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoate CAS Name: 2-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-cyanobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-cyanobenzoate Traditional Name: 2-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid tert-butyl ester Formula: C17H15ClN4O5S MolecularWeight: 422.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c1-17(2,3)27-15(23)10-6-5-9(8-19)7-11(10)26-14-12(22(24)25)13(18)20-16(21-14)28-4/h5-7H,1-4H3