ethyl 3-[4-(phenylsulfonyl)butanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[4-(phenylsulfonyl)butanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(benzenesulfonyl)butanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(benzenesulfonyl)butanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-(4-besylbutanoylamino)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)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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