Compound Identification
SMILES
CCN1C(SC2=C1C=CC(Cl)=C2)=NC(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=ZAIHZSXCLJPDGT-UHFFFAOYSA-N
Formula
C19H13ClN2O3S
Mass
384.83
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 Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Pyranone - Benzenoid - Aryl chloride - Pyran - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Isothiourea - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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