Compound Identification
SMILES
CC(C)C1=C(C)C=C2OC(=O)C=C(CSC3=CC=C(Br)C=C3)C2=C1
InChIKey
InChIKey=PCPHPLPRNOZBAR-UHFFFAOYSA-N
Formula
C20H19BrO2S
Mass
403.33
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 Cumenes Thiophenol ethers Pyranones and derivatives Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Cumene - Aryl thioether - Thiophenol ether - Bromobenzene - Halobenzene - Pyranone - Alkylarylthioether - Pyran - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Heteroaromatic compound - Lactone - Sulfenyl compound - Thioether - Organoheterocyclic compound - Oxacycle - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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