Compound Identification
SMILES
N=C1OC2=CC=CC=C2C=C1C(=O)NC1=NC(=CS1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=PTQPESIMYRLZIE-UHFFFAOYSA-N
Formula
C22H13N3O4S
Mass
415.42
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 Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen 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