Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=C(C)C=C(OCC=C)C=C2)C(=O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KNZCCNXSXXWQAW-UHFFFAOYSA-N
Formula
C28H25ClN2O6S
Mass
553.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Lactams Azacyclic compounds Enols Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Thiazole - Heteroaromatic compound - Azole - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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