Compound Identification
SMILES
COC1=CC=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC(Br)=C3)=C1
InChIKey
InChIKey=CBBMGVREUKZZLM-UHFFFAOYSA-N
Formula
C22H14BrN3O3S
Mass
480.34
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 Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Lactones Secondary amines Enamines Azacyclic compounds Nitriles Oxacyclic compounds Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Aryl bromide - Benzenoid - Aryl halide - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary amine - Enamine - Ether - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Cyanide - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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