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

Systemtic Name: methyl 2,4-dimethyl-5-(2-pyrimidin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-pyrimidylthio)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C14H15N3O3S/c1-8-11(13(19)20-3)9(2)17-12(8)10(18)7-21-14-15-5-4-6-16-14/h4-6,17H,7H2,1-3H3