Compound Identification
SMILES
CC1=CC=C(C=C1)C(O)=C1C(N(C2=NC3=C(S2)C=C(C)C=C3)C(=O)C1=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=BRXPEFJKXVSMBN-UHFFFAOYSA-N
Formula
C26H19ClN2O3S
Mass
474.96
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzothiazoles Toluenes Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Enols Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - Halobenzene - Chlorobenzene - Toluene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Lactam - Cyclic ketone - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Enol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available