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

Systemtic Name: ethyl 5-acetyloxy-2-[(3-cyano-5-ethyl-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC)C

InChI

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