diethyl 3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[4-(p-tolylsulfonyl)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-tosylbutanoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO7S2/c1-5-29-21(25)18-15(4)19(22(26)30-6-2)31-20(18)23-17(24)8-7-13-32(27,28)16-11-9-14(3)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,23,24)