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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid

ChEBI ID	CHEBI:189464

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H19NO4S

Net Charge

Average Mass

345.410

Monoisotopic Mass

345.10348

InChI

InChI=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)

InChIKey

FQRPHLJLYPTTQW-UHFFFAOYSA-N

SMILES

S1C(C(C)(C)C)=CC(NC(=O)C=2C(=CC=CC2)C(O)=O)=C1C(=O)C

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in leaf sheath (BTO:0005094). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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