Compound Identification
SMILES
ClCC1=CC2=C(OC(=O)C(=C2)C(=O)SC2=CC=CC=C2)C=C1
InChIKey
InChIKey=WIBPRJHSRYQIFR-UHFFFAOYSA-N
Formula
C17H11ClO3S
Mass
330.78
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 Aryl thioethers Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Thioesters Carbothioic S-esters Lactones Carboxylic acids and derivatives Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organooxygen compounds Alkyl chlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Thiocarboxylic acid ester - Carbothioic s-ester - Lactone - Oxacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl halide - Organochloride - Organohalogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Alkyl chloride - Hydrocarbon derivative - 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