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

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

CCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=C(O2)C=CC(=C3)OC(=O)C)C(=O)OCC

InChI

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