Compound Identification
SMILES
CC(C)C1=C(C)C=C2OC(=O)C=C(COC(=O)CSC3=CC=CC=C3)C2=C1
InChIKey
InChIKey=ILHNEOZDTRWCEC-UHFFFAOYSA-N
Formula
C22H22O4S
Mass
382.47
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
1-benzopyrans Cumenes Thiophenol ethers Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Lactones Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Cumene - Aryl thioether - Thiophenol ether - Pyranone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - 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