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CHEBI:119842 - 2-[5-[[2-imino-3-(2-methoxyphenyl)-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid

ChEBI IDCHEBI:119842
ChEBI Name2-[5-[[2-imino-3-(2-methoxyphenyl)-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid
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DownloadsMolfile
FormulaC22H16N2O5S
Net Charge0
Average Mass420.446
Monoisotopic Mass420.07799
SMILESCOc1ccccc1N1C(=N)SC(=Cc2ccc(-c3ccccc3C(=O)O)o2)C1=O
InChIInChI=1S/C22H16N2O5S/c1-28-18-9-5-4-8-16(18)24-20(25)19(30-22(24)23)12-13-10-11-17(29-13)14-6-2-3-7-15(14)21(26)27/h2-12,23H,1H3,(H,26,27)
InChIKeyPNFZUCFQPLNPLV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[5-[[2-imino-3-(2-methoxyphenyl)-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid (CHEBI:119842) is a methoxybenzenes (CHEBI:51683)
2-[5-[[2-imino-3-(2-methoxyphenyl)-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid (CHEBI:119842) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-31286LINCS