ethyl 3-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]amino]coumarilic acid ethyl ester Formula: C21H18N2O10S MolecularWeight: 490.44002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O10S/c1-3-31-21(26)19-18(13-6-4-5-7-15(13)33-19)22-17(24)11-32-20(25)12-8-9-16(34(2,29)30)14(10-12)23(27)28/h4-10H,3,11H2,1-2H3,(H,22,24)