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CHEBI:93425 - 2-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

ChEBI IDCHEBI:93425
ChEBI Name2-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
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DownloadsMolfile
FormulaC24H18N2O4S
Net Charge0
Average Mass430.485
Monoisotopic Mass430.09873
SMILESCOc1ccccc1C(=O)OCC#CCSc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C24H18N2O4S/c1-28-21-14-5-4-12-20(21)23(27)29-15-6-7-16-31-24-26-25-22(30-24)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,15-16H2,1H3
InChIKeyOAQSAGQLIQQSON-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:93425) is a methoxybenzoic acid (CHEBI:25238)
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