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

Systemtic Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O8S/c1-5-36-27(31)25-18(4)37-23-13-12-21(15-22(23)25)28(26(30)19-8-10-20(11-9-19)29(32)33)38(34,35)24-14-16(2)6-7-17(24)3/h6-15H,5H2,1-4H3