ethyl 3-[2-(phenylmethyl)sulfonylethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(phenylmethyl)sulfonylethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(2-benzylsulfonylacetyl)amino]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-benzylsulfonylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-benzylsulfonylacetyl)amino]coumarilic acid ethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H19NO6S/c1-2-26-20(23)19-18(15-10-6-7-11-16(15)27-19)21-17(22)13-28(24,25)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,22)