ethyl 2,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(2-pyrimidylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=CC=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=CC=N2)C)C

InChI

InChI=1S/C15H17N3O3S/c1-4-21-14(20)13-10(3)18-9(2)12(13)11(19)8-22-15-16-6-5-7-17-15/h5-7,18H,4,8H2,1-3H3