Compound Identification
SMILES
COC(=O)CSC1=NN=C(NC(=O)C2=CC3=CC=CC=C3OC2=O)S1
InChIKey
InChIKey=ZJNQPOCABVZRCN-UHFFFAOYSA-N
Formula
C15H11N3O5S2
Mass
377.39
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 Alkylarylthioethers Benzenoids Thiadiazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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