Compound Identification
SMILES
O=C1OC2=CC=CC=C2C=C1C1=CSC(C=NN2CCOCC2)=N1
InChIKey
InChIKey=CBBALGWDAUNOFH-UHFFFAOYSA-N
Formula
C17H15N3O3S
Mass
341.39
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 Pyranones and derivatives 2,4-disubstituted thiazoles Morpholines Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Hydrazones Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Pyranone - Morpholine - Oxazinane - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Lactone - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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