Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(=C2)S(C)(=O)=O)=NC(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=GOPFOTDAJPHRJR-UHFFFAOYSA-N
Formula
C21H18N2O6S2
Mass
458.5
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
1-benzopyrans Benzothiazoles Pyranones and derivatives Benzenoids Thiazoles Sulfones Heteroaromatic compounds Lactones Isothioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Sulfonyl - Sulfone - Isothiourea - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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