diethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H23NO7S2/c1-4-27-19(23)16-13(3)17(20(24)28-5-2)29-18(16)21-15(22)12-30(25,26)11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22)