Compound Identification
SMILES
BrC1=CC=CC=C1C1=NN=C(O1)SCC(=O)NC1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=WBKDEHIZKAYSAA-UHFFFAOYSA-N
Formula
C19H12BrN3O4S
Mass
458.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans N-arylamides Pyranones and derivatives Alkylarylthioethers Bromobenzenes Aryl bromides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - N-arylamide - Bromobenzene - Halobenzene - Pyranone - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Lactone - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available