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

Systemtic Name: ethyl 2-[(5-but-2-enyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(5-but-2-enyl-3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(5-but-2-enyl-3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-but-2-enyl-3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(5-but-2-enyl-3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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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=CC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c1-5-7-8-17-14(3)19(12-25)23(26-15(17)4)31-13-21-22(24(28)29-6-2)18-11-16(27)9-10-20(18)30-21/h5,7,9-11,27H,6,8,13H2,1-4H3