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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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