Compound Identification
SMILES
C[NH+](C)CCN1C(C(C(=O)C2=C(C)N=C(C)S2)=C([O-])C1=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=TTWRMOZBZSSJMO-UHFFFAOYSA-N
Formula
C21H25N3O3S
Mass
399.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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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
2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Toluenes Vinylogous acids Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Quaternary ammonium salts Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Pyrrole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Vinylogous acid - Tertiary aliphatic amine - Carboxamide group - Ketone - Lactam - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Organic oxygen compound - 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