Compound Identification
SMILES
CC1C=CCC2C1C(=O)N(C2=O)C1=C(OC(=O)C2=CC=CS2)C=CC(Cl)=C1
InChIKey
InChIKey=QROBEANUYRMQBA-UHFFFAOYSA-N
Formula
C20H16ClNO4S
Mass
401.86
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
Phenol esters Isoindolones Isoindoles Thiophene carboxylic acids and derivatives Phenoxy compounds Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Isoindolone - Phenol ester - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Thiophene - Pyrrole - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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