Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C1=C(C#N)N3N=C(SC3=N1)S(=O)(=O)\N=C\N(C)C)C(=O)O2
InChIKey
InChIKey=PPAQHYBJMJXYMX-FSJBWODESA-N
Formula
C21H21N7O4S2
Mass
499.56
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 Dialkylarylamines Pyranones and derivatives Benzenoids N-substituted imidazoles Thiadiazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids and derivatives Lactones Azacyclic compounds Formamidines Oxacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - N-substituted imidazole - Pyran - Benzenoid - Heteroaromatic compound - Thiadiazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Formamidine - Amidine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organic oxide - 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