Compound Identification
SMILES
CC1=CC(=CC(C)=C1)N1C(=O)C2=CC=CC=C2N=C1SCC1=CC(=O)OC2=C1C=CC(C)=C2C
InChIKey
InChIKey=GWPYVZYJNMJRQL-UHFFFAOYSA-N
Formula
C28H24N2O3S
Mass
468.57
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 m-Xylenes Pyrimidones Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Lactones Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diazanaphthalene - Benzopyran - Quinazoline - 1-benzopyran - Aryl thioether - Xylene - M-xylene - Pyranone - Pyrimidone - Alkylarylthioether - Pyran - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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