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CHEBI:114523 - 2-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester

ChEBI IDCHEBI:114523
ChEBI Name2-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester
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DownloadsMolfile
FormulaC15H13NO4S2
Net Charge0
Average Mass335.406
Monoisotopic Mass335.02860
SMILESCc1ccccc1C(=O)ON=C1CCS(=O)(=O)c2sccc21
InChIInChI=1S/C15H13NO4S2/c1-10-4-2-3-5-11(10)14(17)20-16-13-7-9-22(18,19)15-12(13)6-8-21-15/h2-6,8H,7,9H2,1H3
InChIKeyBPJAUPJAHPJOEU-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-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester (CHEBI:114523) is a benzoic acids (CHEBI:22723)
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