methyl 2-[5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-cyano-6-(2-methoxy-2-oxoethyl)sulfanylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=NC=N1)SCC(=O)OC)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=NC=N1)SCC(=O)OC)C#N

InChI

InChI=1S/C11H11N3O4S2/c1-17-8(15)4-19-10-7(3-12)11(14-6-13-10)20-5-9(16)18-2/h6H,4-5H2,1-2H3