Compound Identification
SMILES
CC1=C(SC(=N1)N1C(C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC(O)=CC=C1)C(=O)OCC=C
InChIKey
InChIKey=ZQDQNWWHDJXJEU-UHFFFAOYSA-N
Formula
C27H22N2O8S
Mass
534.54
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
Benzo-1,4-dioxanes Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Benzene and substituted derivatives Para dioxins Heteroaromatic compounds Pyrroles Vinylogous acids Tertiary carboxylic acid amides Lactams Cyclic ketones Carboxylic acid esters Enols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Para-dioxin - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Vinylogous acid - Azole - Pyrrole - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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