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

Systemtic Name: ethyl 3-[3-(phenylmethyl)sulfonylpropanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(3-benzylsulfonylpropanoylamino)benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-benzylsulfonylpropanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 3-(3-benzylsulfonylpropanoylamino)coumarilic acid ethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-2-27-21(24)20-19(16-10-6-7-11-17(16)28-20)22-18(23)12-13-29(25,26)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,23)