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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=CN2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=CN2C)C

InChI

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