ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-2-thiocyanato-butanoate

Systemtic Name: ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-2-thiocyanato-butanoate Openeye Name: ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-2-thiocyanato-butanoate CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)-3-methyl-2-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-2-thiocyanatobutanoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-2-thiocyanato-butyric acid ethyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=CC(=N1)OC)OC)(C(C)C)SC#N

Isomeric SMILES

CCOC(=O)C(C1=NC(=CC(=N1)OC)OC)(C(C)C)SC#N

InChI

InChI=1S/C14H19N3O4S/c1-6-21-13(18)14(9(2)3,22-8-15)12-16-10(19-4)7-11(17-12)20-5/h7,9H,6H2,1-5H3