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

Systemtic Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H28N2O8S MolecularWeight: 564.60622

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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)(C)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)(C)C)C

InChI

InChI=1S/C29H28N2O8S/c1-6-38-28(33)26-18(2)39-25-15-12-21(17-24(25)26)30(27(32)19-8-7-9-22(16-19)31(34)35)40(36,37)23-13-10-20(11-14-23)29(3,4)5/h7-17H,6H2,1-5H3