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

Systemtic Name: ethyl 2-[5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-2-(methylthio)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-2-(methylthio)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C14H17N3O4S3 MolecularWeight: 387.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=NC(=N1)SC)SCC(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=NC(=N1)SC)SCC(=O)OCC)C#N

InChI

InChI=1S/C14H17N3O4S3/c1-4-20-10(18)7-23-12-9(6-15)13(17-14(16-12)22-3)24-8-11(19)21-5-2/h4-5,7-8H2,1-3H3