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

Systemtic Name: ethyl 2-[5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-6-phenyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-6-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-6-phenyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC(=O)OCC

InChI

InChI=1S/C19H19N3O4S2/c1-3-25-15(23)11-27-18-14(10-20)17(13-8-6-5-7-9-13)21-19(22-18)28-12-16(24)26-4-2/h5-9H,3-4,11-12H2,1-2H3