Compound Identification
SMILES
ClC1=CC2=C(OC(=O)C(=C2)C2=CN3C(SC4=C3C=CC(OC3=CC=CC=C3)=C4)=N2)C=C1
InChIKey
InChIKey=KGMRYXKTSMBGAA-UHFFFAOYSA-N
Formula
C24H13ClN2O3S
Mass
444.89
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
Diarylethers 1-benzopyrans Benzothiazoles Phenoxy compounds Phenol ethers Pyranones and derivatives Aryl chlorides N-substituted imidazoles Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Coumarin - 1-benzopyran - Benzopyran - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Pyranone - Monocyclic benzene moiety - Aryl chloride - Benzenoid - N-substituted imidazole - Pyran - Aryl halide - Heteroaromatic compound - Thiazole - Imidazole - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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