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

Systemtic Name: ethyl 2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=C(C=CC(=N3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=C(C=CC(=N3)C)C#N

InChI

InChI=1S/C19H16N2O4S/c1-3-24-19(23)17-14-8-13(22)6-7-15(14)25-16(17)10-26-18-12(9-20)5-4-11(2)21-18/h4-8,22H,3,10H2,1-2H3