ethyl 5-acetyloxy-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C22H20N2O5S/c1-5-27-22(26)20-16-9-15(28-14(4)25)6-7-18(16)29-19(20)11-30-21-17(10-23)12(2)8-13(3)24-21/h6-9H,5,11H2,1-4H3