Compound Identification
SMILES
O=C1OC2=CC=CC=C2C=C1C1=CSC(NC2=CC=CC=C2)=N1
InChIKey
InChIKey=CBDWBPQGLFDFOG-UHFFFAOYSA-N
Formula
C18H12N2O2S
Mass
320.37
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 Aniline and substituted anilines Pyranones and derivatives 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Lactone - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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