CHEBI:119878 - 2-thiophenecarboxylic acid [4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester

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ChEBI Name 2-thiophenecarboxylic acid [4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester
ChEBI ID CHEBI:119878
Stars This entity has been manually annotated by a third party.
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Formula C22H15N3O2S
Net Charge 0
Average Mass 385.440
Monoisotopic Mass 385.08850
InChI InChI=1S/C22H15N3O2S/c1-14-4-9-18-19(11-14)25-21(24-18)16(13-23)12-15-5-7-17(8-6-15)27-22(26)20-3-2-10-28-20/h2-12H,1H3,(H,24,25)
InChIKey QXYPVJXRFOEQBR-UHFFFAOYSA-N
SMILES CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4)C#N
ChEBI Ontology
Outgoing 2-thiophenecarboxylic acid [4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester (CHEBI:119878) is a benzoate ester (CHEBI:36054)
2-thiophenecarboxylic acid [4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester (CHEBI:119878) is a phenols (CHEBI:33853)
Manual Xref Database
LSM-31322 LINCS
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