2-(2-tert-butyl-5-methoxycarbonyl-6-methylsulfanyl-pyrimidin-4-yl)oxyethanoic acid

Systemtic Name: 2-(2-tert-butyl-5-methoxycarbonyl-6-methylsulfanyl-pyrimidin-4-yl)oxyethanoic acid Openeye Name: 2-(2-tert-butyl-5-methoxycarbonyl-6-methylsulfanyl-pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[2-tert-butyl-5-methoxycarbonyl-6-(methylthio)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(2-tert-butyl-5-methoxycarbonyl-6-methylsulfanylpyrimidin-4-yl)oxyacetic acid Traditional Name: 2-[2-tert-butyl-5-carbomethoxy-6-(methylthio)pyrimidin-4-yl]oxyacetic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=N1)SC)C(=O)OC)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=N1)SC)C(=O)OC)OCC(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-13(2,3)12-14-9(20-6-7(16)17)8(11(18)19-4)10(15-12)21-5/h6H2,1-5H3,(H,16,17)