Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C1N(CC2=CC=CC=C2)C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=ULEWDOMOTABHGA-UHFFFAOYSA-N
Formula
C24H21BrN2O4S
Mass
513.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
-
Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Pyrroline carboxylic acids and derivatives Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles Methoxybenzenes Aryl ketones Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Pyrroline carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Lactam - Azacycle - Enol - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available