ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-6-23-16(22)14-11(4)15(20-12(14)5)13(21)8-24-17-18-9(2)7-10(3)19-17/h7,20H,6,8H2,1-5H3