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

Systemtic Name: ethyl 5-acetyloxy-2-[(6-butyl-3-cyano-pyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(6-butyl-3-cyano-2-pyridyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(6-butyl-3-cyano-2-pyridinyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(6-butyl-3-cyanopyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(6-butyl-3-cyano-2-pyridyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C24H24N2O5S/c1-4-6-7-17-9-8-16(13-25)23(26-17)32-14-21-22(24(28)29-5-2)19-12-18(30-15(3)27)10-11-20(19)31-21/h8-12H,4-7,14H2,1-3H3