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CHEBI:189464 - 2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid

ChEBI IDCHEBI:189464
ChEBI Name2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO4S
Net Charge0
Average Mass345.420
Monoisotopic Mass345.10348
SMILESCC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H19NO4S/c1-10(20)15-13(9-14(24-15)18(2,3)4)19-16(21)11-7-5-6-8-12(11)17(22)23/h5-9H,1-4H3,(H,19,21)(H,22,23)
InChIKeyFQRPHLJLYPTTQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
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-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid (CHEBI:189464) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2-[(2-acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid
Manual XrefsDatabases
2086750ChemSpider