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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(1-isobutylbenzimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(1-isobutylbenzimidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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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=C3N2CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C22H27N3O3S/c1-12(2)11-25-17-10-8-7-9-16(17)24-22(25)29-15(5)20(26)19-13(3)18(14(4)23-19)21(27)28-6/h7-10,12,15,23H,11H2,1-6H3/t15-/m0/s1