Compound Identification
SMILES
CC(C)SC1=C2C(C)=NN(C)C2=NC=C1C(=O)NC1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=HMRJXWZZZVUBCA-UHFFFAOYSA-N
Formula
C21H20N4O3S
Mass
408.48
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 Pyridinecarboxamides Pyrazolopyridines Alkylarylthioethers Pyranones and derivatives Vinylogous thioesters Benzenoids Pyrazoles Heteroaromatic compounds Lactones Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Pyrazolopyridine - Aryl thioether - Pyranone - Alkylarylthioether - Pyridine - Benzenoid - Pyran - Vinylogous thioester - Heteroaromatic compound - Azole - Pyrazole - Lactone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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