methyl 5-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

InChI

InChI=1S/C18H21N3O5S/c1-9-6-10(2)20-18(19-9)27-8-14(23)26-7-13(22)16-11(3)15(12(4)21-16)17(24)25-5/h6,21H,7-8H2,1-5H3