diethyl 3-methyl-5-[2-(4-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(4-methylsulfonylphenyl)-oxomethoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-mesylbenzoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23NO9S2 MolecularWeight: 497.53862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO9S2/c1-5-29-20(25)16-12(3)17(21(26)30-6-2)32-18(16)22-15(23)11-31-19(24)13-7-9-14(10-8-13)33(4,27)28/h7-10H,5-6,11H2,1-4H3,(H,22,23)