Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2=CC3=CC=CC=C3OC2=O)SC=C1C1=CC=CC=C1
InChIKey
InChIKey=LCLQTWQVQPGSIT-UHFFFAOYSA-N
Formula
C22H15NO5S
Mass
405.42
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 Thiophene carboxylic acids and derivatives Pyranones and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Thiophene carboxylic acid or derivatives - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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