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CHEBI:108963 - 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

ChEBI IDCHEBI:108963
ChEBI Name2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
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FormulaC21H19N3O3S
Net Charge0
Average Mass393.468
Monoisotopic Mass393.11471
SMILESCc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3n2)c1
InChIInChI=1S/C21H19N3O3S/c1-13-7-8-14(2)19(9-13)28-12-20(26)27-11-18(25)15(10-22)21-23-16-5-3-4-6-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)
InChIKeyBGCNMYPMRYTVLQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester (CHEBI:108963) is a benzimidazoles (CHEBI:22715)
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