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

Systemtic Name: 2-[6-[5-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-oxidanyl-propanoic acid Openeye Name: 2-[6-(2-tert-butoxycarbonyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-propanoic acid CAS Name: 2-[[6-[5-cyano-2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-hydroxypropanoic acid IUPAC Name: 2-[6-[5-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-hydroxypropanoic acid Traditional Name: 2-[6-(2-tert-butoxycarbonyl-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-propionic acid Formula: C20H20N4O9S MolecularWeight: 492.4592

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O9S/c1-20(2,3)33-18(28)11-6-5-10(8-21)7-12(11)31-15-14(24(29)30)16(23-19(22-15)34-4)32-13(9-25)17(26)27/h5-7,13,25H,9H2,1-4H3,(H,26,27)