Compound Identification
SMILES
CCOC1=C\C(=C/N\N=C2\SC=C(N2CC=C)C2=CC3=C(OC2=O)C=CC(Br)=C3)C=CC1=O
InChIKey
InChIKey=BCWPCDNJTAFMOE-BAPISOIPSA-N
Formula
C24H20BrN3O4S
Mass
526.41
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 P-quinomethanes Pyranones and derivatives Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Quinomethane - P-quinomethane - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Ketone - Lactone - Cyclic ketone - Oxacycle - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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