Compound Identification
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C1=NN=C(NC2=CC(Cl)=C(OC3=C(Cl)C4=CC=CC=C4C=C3)C=C2)S1
InChIKey
InChIKey=LQRJQGFEVMDYQO-UHFFFAOYSA-N
Formula
C28H17Cl2N3O4S
Mass
562.42
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
Chloronaphthalenes Diarylethers 1-benzopyrans Phenoxy compounds Aniline and substituted anilines Anisoles Pyranones and derivatives 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloronaphthalene - Coumarin - Diaryl ether - Benzopyran - Naphthalene - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - 2-amino-5-substituted-1,3,4-thiadiazole - Pyran - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - 2-amino-1,3,4-thiadiazole - Thiadiazole - Heteroaromatic compound - Azole - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organic nitrogen 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