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CHEBI:111292 - 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester

ChEBI IDCHEBI:111292
ChEBI Name4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
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FormulaC25H23N3O4S
Net Charge0
Average Mass461.543
Monoisotopic Mass461.14093
SMILESO=C(COC(=O)CCCSc1nc2ccccc2n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H23N3O4S/c29-23(26-18-12-14-20(15-13-18)32-19-7-2-1-3-8-19)17-31-24(30)11-6-16-33-25-27-21-9-4-5-10-22(21)28-25/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)(H,27,28)
InChIKeyBVCQNERUSOKMJK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester (CHEBI:111292) is a aromatic ether (CHEBI:35618)
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LSM-22748LINCS