Compound Identification
SMILES
COC(=O)C1=C(NC(=O)[C@H]2CN(C(=O)C2)C2=CC=CC(C)=C2C)C=CS1
InChIKey
InChIKey=RNQGYJBUSVCTOD-CYBMUJFWSA-N
Formula
C19H20N2O4S
Mass
372.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
o-Xylenes Thiophene carboxylic acids and derivatives Pyrrolidinecarboxamides N-arylamides Pyrrolidine-2-ones Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Pyrroles Amino acids and derivatives Tertiary amines Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - O-xylene - Xylene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Benzenoid - Methyl ester - Thiophene - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteromonocyclic 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