Compound Identification
SMILES
BrC1=CC2=C(NC3=C(S2)C(=O)OC2=CC=CC=C32)C=C1
InChIKey
InChIKey=BTJDUIGWVISUBV-UHFFFAOYSA-N
Formula
C15H8BrNO2S
Mass
346.2
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
Diarylthioethers 1-benzopyrans Benzothiazines Pyranones and derivatives 1,4-thiazines Primary aromatic amines Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Secondary amines Azacyclic compounds Oxacyclic compounds Organic oxides Organobromides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - Benzothiazine - 1-benzopyran - Aryl thioether - Pyranone - Para-thiazine - Aryl bromide - Aryl halide - Primary aromatic amine - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactone - Thioether - Secondary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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