Compound Identification
SMILES
O=C1OC2=CC=CC=C2C2=C1SC1=CC=CC=C1N2
InChIKey
InChIKey=BUPPVTUKPWAYCH-UHFFFAOYSA-N
Formula
C15H9NO2S
Mass
267.3
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
Diarylthioethers 1-benzopyrans Benzothiazines Pyranones and derivatives 1,4-thiazines Benzenoids Primary aromatic amines Heteroaromatic compounds Vinylogous amides Lactones Azacyclic compounds Secondary amines Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - Benzothiazine - 1-benzopyran - Aryl thioether - Pyranone - Para-thiazine - Primary aromatic amine - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen 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