Compound Identification
SMILES
O=C(CSC1=NC(=CS1)C1=CC=CC=C1)NC1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=DAMBRQIDWVZECN-UHFFFAOYSA-N
Formula
C20H14N2O3S2
Mass
394.46
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 N-arylamides 2,4-disubstituted thiazoles Pyranones and derivatives Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Lactone - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen 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