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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-methylimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C)C

InChI

InChI=1S/C15H19N3O3S/c1-5-21-14(20)12-9(2)13(17-10(12)3)11(19)8-22-15-16-6-7-18(15)4/h6-7,17H,5,8H2,1-4H3