CHEBI:113046 - 2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid
ChEBI ID CHEBI:113046
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H13NO4S
Net Charge 0
Average Mass 291.324
Monoisotopic Mass 291.05653
InChI InChI=1S/C14H13NO4S/c1-8-9(2)20-13(12(8)14(17)18)15-11(16)6-5-10-4-3-7-19-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKey DADCHQVUJPVOMW-UHFFFAOYSA-N
SMILES CC1=C(SC(=C1C(=O)O)NC(=O)C=CC2=CC=CO2)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (CHEBI:113046) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-24456 LINCS
View more database links