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

Systemtic Name: diethyl 3-methyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(2-pyrimidinylthio)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(2-pyrimidylthio)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-4-25-16(23)13-11(3)14(17(24)26-5-2)28-15(13)21-12(22)7-10-27-18-19-8-6-9-20-18/h6,8-9H,4-5,7,10H2,1-3H3,(H,21,22)