Compound Identification
SMILES
O=C([C@@H]1[C@H]([C@H]2CSCN2[C@@]11C(=O)NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=KLXOMDQDFSGCLW-MBPYSEENSA-N
Formula
C27H22N2O4S
Mass
470.54
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids and derivatives Benzodioxoles Indolines Aryl alkyl ketones Pyrrolothiazoles Benzene and substituted derivatives Gamma-amino ketones N-alkylpyrrolidines Thiazolidines Pyrroles Secondary carboxylic acid amides Lactams Dialkylthioethers Oxacyclic compounds Azacyclic compounds Acetals Thiohemiaminal derivatives Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzodioxole - Indole or derivatives - Dihydroindole - Pyrrolothiazole - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Gamma-aminoketone - Benzenoid - N-alkylpyrrolidine - Pyrrole - Thiazolidine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ketone - Hemithioaminal - Dialkylthioether - Acetal - Azacycle - Thioether - Oxacycle - Carboxylic acid derivative - Aldehyde - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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