Compound Identification
SMILES
CCOCCN1C(SC2=C1C=CC(Cl)=C2)=NC(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=WSYXMRRLULPCNH-UHFFFAOYSA-N
Formula
C21H17ClN2O4S
Mass
428.89
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 Benzothiazoles Pyranones and derivatives Aryl chlorides Benzenoids Thiazoles Heteroaromatic compounds Isothioureas Lactones Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Lactone - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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