Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C1=CSC(=N1)C1=CC2=C(OC1=O)C=CC(Cl)=C2
InChIKey
InChIKey=AFNNGUJQTNTYQY-UHFFFAOYSA-N
Formula
C22H18ClNO3S
Mass
411.9
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 Phenoxy compounds Phenol ethers Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Pyranone - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Aryl chloride - Benzenoid - Aryl halide - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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