Compound Identification
SMILES
CC(C)CN1C(C)=C(C)N=C1SCC1=CC(=O)OC2=CC(C)=C(C)C=C12
InChIKey
InChIKey=IJCZIEBIRBJTDJ-UHFFFAOYSA-N
Formula
C21H26N2O2S
Mass
370.51
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 1,2,4,5-tetrasubstituted imidazoles Pyranones and derivatives Alkylarylthioethers N-substituted imidazoles Benzenoids Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1,2,4,5-tetrasubstituted imidazole - Aryl thioether - Alkylarylthioether - Pyranone - N-substituted imidazole - Benzenoid - Pyran - Azole - Heteroaromatic compound - Imidazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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