ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[1-oxobutyl-(2,4,6-trimethylphenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(mesitylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H29NO6S/c1-7-9-22(27)26(33(29,30)24-16(4)12-15(3)13-17(24)5)19-10-11-21-20(14-19)23(18(6)32-21)25(28)31-8-2/h10-14H,7-9H2,1-6H3