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CHEBI:93278 - 4-[[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid

ChEBI IDCHEBI:93278
ChEBI Name4-[[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid
Stars
DownloadsMolfile
FormulaC22H18N2O7S2
Net Charge0
Average Mass486.527
Monoisotopic Mass486.05554
SMILESO=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C22H18N2O7S2/c25-15-10-13(4-5-14(15)21(28)29)23-19(26)2-1-7-24-20(27)18(33-22(24)32)9-12-3-6-16-17(8-12)31-11-30-16/h3-6,8-10,25H,1-2,7,11H2,(H,23,26)(H,28,29)
InChIKeyGGMMNBODULCFQO-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)
4-[[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid (CHEBI:93278) is a amidobenzoic acid (CHEBI:48470)
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