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

Systemtic Name: ethyl 2-[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-bromo-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-bromo-5-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C16H13BrN4O6S MolecularWeight: 469.26662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)SC

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)SC

InChI

InChI=1S/C16H13BrN4O6S/c1-3-25-12(22)8-26-14-13(21(23)24)15(20-16(19-14)28-2)27-11-5-9(7-18)4-10(17)6-11/h4-6H,3,8H2,1-2H3