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

Systemtic Name: 2-[6-[4-cyano-3-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 2-[6-(3-tert-butoxycarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butanoic acid CAS Name: 2-[[6-[4-cyano-3-[(2-methylpropan-2-yl)oxy-oxomethyl]phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 2-[6-[4-cyano-3-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-hydroxybutanoic acid Traditional Name: 2-[6-(3-tert-butoxycarbonyl-4-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butyric acid Formula: C21H22N4O9S MolecularWeight: 506.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=C(C=C2)C#N)C(=O)OC(C)(C)C)SC)O

Isomeric SMILES

CC(C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=C(C=C2)C#N)C(=O)OC(C)(C)C)SC)O

InChI

InChI=1S/C21H22N4O9S/c1-10(26)15(18(27)28)33-17-14(25(30)31)16(23-20(24-17)35-5)32-12-7-6-11(9-22)13(8-12)19(29)34-21(2,3)4/h6-8,10,15,26H,1-5H3,(H,27,28)