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

Systemtic Name: diethyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(2-pyridylsulfanyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(2-pyridinylthio)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(2-pyridylthio)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=CC=N2

InChI

InChI=1S/C19H22N2O5S2/c1-4-25-18(23)15-12(3)16(19(24)26-5-2)28-17(15)21-13(22)9-11-27-14-8-6-7-10-20-14/h6-8,10H,4-5,9,11H2,1-3H3,(H,21,22)