diethyl 3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(4-besylbutanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S2/c1-4-28-20(24)17-14(3)18(21(25)29-5-2)30-19(17)22-16(23)12-9-13-31(26,27)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,22,23)