ethyl 5-acetyloxy-2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-2,7a-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-2,7a-dihydro-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-2,7a-dihydrobenzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]-2,7a-dihydrobenzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-2,7a-dihydro-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]-2,7a-dihydrobenzofuran-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CC2OC1CSC3=C(C=CC(=N3)C)C#N)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CC2OC1CSC3=C(C=CC(=N3)C)C#N)OC(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-4-26-21(25)19-16-9-15(27-13(3)24)7-8-17(16)28-18(19)11-29-20-14(10-22)6-5-12(2)23-20/h5-9,17-18H,4,11H2,1-3H3