ethyl 5-[ethanoyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[ethanoyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[acetyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[acetyl-(3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[acetyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[acetyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C20H18N2O8S MolecularWeight: 446.43052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O8S/c1-4-29-20(24)19-12(2)30-18-9-8-14(11-17(18)19)21(13(3)23)31(27,28)16-7-5-6-15(10-16)22(25)26/h5-11H,4H2,1-3H3