Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(CC2=CN=CC=C2)C(=O)C(O)=C1C(=O)C1=C(C)N2C(S1)=NC1=CC=CC=C21
InChIKey
InChIKey=KWNBFBXSQKSFFY-UHFFFAOYSA-N
Formula
C29H22N4O5S
Mass
538.58
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
Benzoic acid esters Benzimidazoles Aryl ketones Benzoyl derivatives Pyrroline carboxylic acids and derivatives N-substituted imidazoles Pyridines and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Vinylogous acids Pyrroles Lactams Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzoate ester - Benzimidazole - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Pyrroline carboxylic acid or derivatives - N-substituted imidazole - Monocyclic benzene moiety - Pyridine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Methyl ester - Pyrrole - Vinylogous acid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Enol - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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