Compound Identification
SMILES
COCCCN1C(SCC2=CC(=O)OC3=C2C=CC(OC)=C3)=NN=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ODSUFGGGCBPDPG-UHFFFAOYSA-N
Formula
C23H22ClN3O4S
Mass
471.96
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
Phenyl-1,2,4-triazoles 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenyltriazole - Phenyl-1,2,4-triazole - 1-benzopyran - Benzopyran - Anisole - Aryl thioether - Pyranone - Alkyl aryl ether - Chlorobenzene - Alkylarylthioether - Halobenzene - Pyran - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen 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