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

Systemtic Name: ethyl 5-[butanoyl-(4-methylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl(p-tolylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(tosyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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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=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-5-7-21(25)24(31(27,28)18-11-8-15(3)9-12-18)17-10-13-20-19(14-17)22(16(4)30-20)23(26)29-6-2/h8-14H,5-7H2,1-4H3