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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C

InChI

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