ethyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]coumarilic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O6S2/c1-2-28-21(24)20-17(16-5-3-4-6-18(16)29-20)14-30-19-8-7-15(13-22-19)31(25,26)23-9-11-27-12-10-23/h3-8,13H,2,9-12,14H2,1H3