diethyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(phenylthio)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(phenylthio)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S2/c1-4-25-19(23)16-13(3)17(20(24)26-5-2)28-18(16)21-15(22)11-12-27-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22)