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

Systemtic Name: diethyl 3-methyl-5-[(4-methylsulfonylphenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methylsulfonylphenyl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-mesylbenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S2/c1-5-26-18(22)14-11(3)15(19(23)27-6-2)28-17(14)20-16(21)12-7-9-13(10-8-12)29(4,24)25/h7-10H,5-6H2,1-4H3,(H,20,21)