CHEBI:125491 - 4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid
ChEBI ID CHEBI:125491
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H13BrN2O6S
Net Charge 0
Average Mass 477.287
Monoisotopic Mass 475.96777
InChI InChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
InChIKey PTBNMQSAVVUNTG-UHFFFAOYSA-N
SMILES C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br
ChEBI Ontology
Outgoing 4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid (CHEBI:125491) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-36991 LINCS
View more database links