Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C1=CSC(SCC(=O)NC2=CC3=C(OC(=O)C=C3)C=C2)=N1
InChIKey
InChIKey=QJMTYCUSYNGQKW-UHFFFAOYSA-N
Formula
C20H12Cl2N2O3S2
Mass
463.35
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 Dichlorobenzenes N-arylamides Pyranones and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - 1,3-dichlorobenzene - N-arylamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyranone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Lactone - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Oxacycle - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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