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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)C)C

InChI

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