Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC=C(Cl)C=C2)C(=O)C1=O)C1=CC=C(C=C1)C(=O)OC
InChIKey
InChIKey=GRMNGARPKSKEOI-UHFFFAOYSA-N
Formula
C28H21ClN2O6S
Mass
548.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Benzoic acid esters Benzothiazoles Benzoyl derivatives Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyrrolidine-2-ones Pyrrolidine-3-ones Aryl chlorides Tertiary carboxylic acid amides Pyrroles Vinylogous acids Thiazoles Heteroaromatic compounds Methyl esters Cyclic ketones Lactams Enols Azacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzoate ester - 1,3-benzothiazole - Benzoic acid or derivatives - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Ketone - Lactam - Cyclic ketone - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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