ethyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H20N2O5S/c1-4-25-19(24)18-15(14-7-5-6-8-16(14)27-18)10-26-17(23)11-28-20-21-12(2)9-13(3)22-20/h5-9H,4,10-11H2,1-3H3