ethyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C23H23NO9S MolecularWeight: 489.49502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H23NO9S/c1-2-29-23(26)22-17(16-6-3-4-7-18(16)33-22)14-32-21(25)13-24-34(27,28)15-8-9-19-20(12-15)31-11-5-10-30-19/h3-4,6-9,12,24H,2,5,10-11,13-14H2,1H3