Compound Identification
SMILES
CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N1CC(=O)C(=C1N)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=UBMACLPNPZDJJB-UHFFFAOYSA-N
Formula
C24H23N3O4S
Mass
449.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Benzoic acid esters Benzothiazoles Benzoyl derivatives Vinylogous amides Thiazoles Pyrroles Heteroaromatic compounds Ketene acetals Cyclic ketones Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrroline - Benzoate ester - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Azole - Thiazole - Pyrrole - Heteroaromatic compound - Cyclic ketone - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - 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