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

Systemtic Name: ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacyl-pyridin-2-yl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridinyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=NC(=C(C(=C3C#N)C)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=NC(=C(C(=C3C#N)C)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H24N2O5S/c1-4-34-28(33)26-21-12-19(31)10-11-24(21)35-25(26)15-36-27-22(14-29)16(2)20(17(3)30-27)13-23(32)18-8-6-5-7-9-18/h5-12,31H,4,13,15H2,1-3H3