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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-methylbenzimidazol-2-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C19H21N3O3S/c1-10-15(18(24)25-5)11(2)20-16(10)17(23)12(3)26-19-21-13-8-6-7-9-14(13)22(19)4/h6-9,12,20H,1-5H3