Compound Identification
SMILES
ClC1=CC(SCC(=O)NC2=CC3=C(OC(=O)C=C3)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=ADUCOTWHPYADKB-UHFFFAOYSA-N
Formula
C17H11Cl2NO3S
Mass
380.24
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 Dichlorobenzenes N-arylamides Alkylarylthioethers Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - 1,4-dichlorobenzene - Thiophenol ether - N-arylamide - Chlorobenzene - Halobenzene - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organooxygen 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