diethyl 3-methyl-5-[2-(2-phenylsulfanylethanoyloxy)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(2-phenylsulfanylethanoyloxy)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[1-oxo-2-(phenylthio)ethoxy]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[2-(phenylthio)acetyl]oxyacetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23NO7S2 MolecularWeight: 465.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C21H23NO7S2/c1-4-27-20(25)17-13(3)18(21(26)28-5-2)31-19(17)22-15(23)11-29-16(24)12-30-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,22,23)