Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C1=NC3=CC=CC=C3N1S(O)(=O)=O)C(=O)O2
InChIKey
InChIKey=SAIBMELRJGTEPJ-UHFFFAOYSA-N
Formula
C20H19N3O5S
Mass
413.45
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 Benzimidazoles Dialkylarylamines Pyranones and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzimidazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - N-substituted imidazole - Pyran - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Lactone - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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