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

Systemtic Name: ethyl 5-acetyloxy-2-[[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(3-cyano-6-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-5-29-24(28)22-19-11-18(30-15(4)27)8-9-20(19)31-21(22)13-32-23-16(12-25)6-7-17(26-23)10-14(2)3/h6-9,11,14H,5,10,13H2,1-4H3