ethyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(2-pyrimidinylthio)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrimidin-2-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(2-pyrimidylthio)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-5-22-15(21)12-9(2)13(19-10(12)3)14(20)11(4)23-16-17-7-6-8-18-16/h6-8,11,19H,5H2,1-4H3/t11-/m0/s1