2,2-dimethylpropanoyloxymethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate CAS Name: 3-cyano-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylbutanoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoate Traditional Name: 3-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butyric acid pivaloyloxymethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C(C(C)(C)C#N)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C(C(C)(C)C#N)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C18H25N3O6S/c1-17(2,3)15(23)27-10-26-14(22)13(18(4,5)9-19)28-16-20-11(24-6)8-12(21-16)25-7/h8,13H,10H2,1-7H3