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

Systemtic Name: ethyl 5-acetyloxy-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C23H22N2O5S/c1-6-28-23(27)21-17-9-16(29-15(5)26)7-8-19(17)30-20(21)11-31-22-18(10-24)13(3)12(2)14(4)25-22/h7-9H,6,11H2,1-5H3