diethyl 3-methyl-5-[[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]amino]thiophene-2,4-dicarboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H](C)SC2=NC=CC=N2

InChI

InChI=1S/C18H21N3O5S2/c1-5-25-16(23)12-10(3)13(17(24)26-6-2)28-15(12)21-14(22)11(4)27-18-19-8-7-9-20-18/h7-9,11H,5-6H2,1-4H3,(H,21,22)/t11-/m0/s1