2-[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[6-(5-cyano-2-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butyric acid Formula: C18H18N4O6S MolecularWeight: 418.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)OC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)OC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-9(2)14(17(23)24)28-16-13(22(25)26)15(20-18(21-16)29-4)27-12-7-11(8-19)6-5-10(12)3/h5-7,9,14H,1-4H3,(H,23,24)