Compound Identification
SMILES
[Na].CC1=C(CC2=C(F)C(NS(N)(=O)=O)=CC=C2)C(=O)OC2=C1C=CC(OC1=NC=CC=N1)=C2
InChIKey
InChIKey=AETANVCNOXUSOZ-UHFFFAOYSA-N
Formula
C21H17FN4NaO5S
Mass
479.44
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 Sulfanilides Phenol ethers Fluorobenzenes Pyranones and derivatives Sulfuric acid diamides Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Lactones Organic alkali metal salts Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Coumarin - Sulfanilide - 1-benzopyran - Benzopyran - Phenol ether - Pyranone - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Pyran - Aryl fluoride - Sulfuric acid diamide - Organic sulfuric acid or derivatives - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Ether - Organic alkali metal salt - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organofluoride - 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