Compound Identification
SMILES
CC(=O)CSC1=C(C)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=VQWQCBSCQHYTGG-UHFFFAOYSA-N
Formula
C14H14O3S
Mass
262.32
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 Thiophenol ethers Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Lactones Ketones Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Thiophenol ether - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Heteroaromatic compound - Ketone - Lactone - Thioether - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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