CHEBI:116717 - 2-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]benzoic acid

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ChEBI Name 2-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]benzoic acid
ChEBI ID CHEBI:116717
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H12N2O4S
Net Charge 0
Average Mass 328.344
Monoisotopic Mass 328.05178
InChI InChI=1S/C16H12N2O4S/c19-14(17-11-6-2-1-5-10(11)15(20)21)9-18-12-7-3-4-8-13(12)23-16(18)22/h1-8H,9H2,(H,17,19)(H,20,21)
InChIKey PWWSVIPEGABCJG-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3SC2=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]benzoic acid (CHEBI:116717) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-28170 LINCS
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