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CHEBI:92668 - 4-[[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid

ChEBI IDCHEBI:92668
ChEBI Name4-[[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
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FormulaC23H22N2O4S2
Net Charge0
Average Mass454.573
Monoisotopic Mass454.10210
SMILESCCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1
InChIInChI=1S/C23H22N2O4S2/c1-2-15-5-7-16(8-6-15)14-19-21(27)25(23(30)31-19)13-3-4-20(26)24-18-11-9-17(10-12-18)22(28)29/h5-12,14H,2-4,13H2,1H3,(H,24,26)(H,28,29)
InChIKeyPITVDYLNTHZLRC-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-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid (CHEBI:92668) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-2836LINCS