Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(CCC[N+]2=CNC=C2)C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=TVRLVUWNLJUBKL-UHFFFAOYSA-O
Formula
C24H25N4O5S
Mass
481.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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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 2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Benzoyl derivatives N-substituted imidazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Benzoate ester - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Benzoyl - Aryl ketone - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Imidazole - Pyrrole - Heteroaromatic compound - Azole - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic cation - 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