Compound Identification
SMILES
CCCCOC1=CC=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC(Br)=C3)=C1
InChIKey
InChIKey=XIFCPPKPGKHOTB-UHFFFAOYSA-N
Formula
C25H20BrN3O3S
Mass
522.42
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 Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Aryl bromide - Monocyclic benzene moiety - Pyran - Benzenoid - Aryl halide - Thiazole - Heteroaromatic compound - Azole - Lactone - Secondary amine - Nitrile - Oxacycle - Carbonitrile - Ether - Organoheterocyclic compound - Enamine - Azacycle - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - 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