ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(3-nitrobenzoyl)-(p-tolylsulfonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrobenzoyl)-tosyl-amino]benzofuran-3-carboxylic acid ethyl ester Formula: C26H22N2O8S MolecularWeight: 522.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H22N2O8S/c1-4-35-26(30)24-17(3)36-23-13-10-19(15-22(23)24)27(37(33,34)21-11-8-16(2)9-12-21)25(29)18-6-5-7-20(14-18)28(31)32/h5-15H,4H2,1-3H3