Compound Identification
SMILES
NC(=O)C1=C(NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O)SC2=C1CCC2
InChIKey
InChIKey=JJPJDUKXKIYCII-UHFFFAOYSA-N
Formula
C20H16N2O6S
Mass
412.42
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 carboxamides N-arylamides Pyranones and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Lactones Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactone - Primary carboxylic acid amide - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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