Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC1=CC2=C(C=C1)C1=CC=CC=C1C(=O)O2
InChIKey
InChIKey=YEWNXKBOSWRTFV-UHFFFAOYSA-N
Formula
C23H19NO6S
Mass
437.47
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
Beta amino acids and derivatives Isocoumarins and derivatives P-toluenesulfonamides Benzenesulfonamides 1-benzopyrans 2-benzopyrans Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-toluenesulfonamide - Beta amino acid or derivatives - Coumarin - Isocoumarin - Benzenesulfonamide - Benzopyran - 2-benzopyran - 1-benzopyran - Tosyl compound - Benzenesulfonyl group - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - 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