Compound Identification
SMILES
CCC(CO)N1C(SCC2=CC(=O)OC3=C2C=CC(C)=C3)=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=SSCVIULWJKQDQA-UHFFFAOYSA-N
Formula
C23H22N2O4S
Mass
422.5
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
Quinazolines 1-benzopyrans Pyrimidones Pyranones and derivatives Alkylarylthioethers Benzenoids Heteroaromatic compounds Lactones Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diazanaphthalene - Benzopyran - 1-benzopyran - Quinazoline - Aryl thioether - Pyranone - Pyrimidone - Alkylarylthioether - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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