Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1N(C(=O)C(=O)\C1=C(\O)C1=CC=NC=C1)C1=NN=C(SCC2=CC=C(C)C=C2)S1
InChIKey
InChIKey=USJPVMCOBRMEOJ-XTQSDGFTSA-N
Formula
C27H22N4O5S2
Mass
546.62
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
Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds Toluenes Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Pyrrolidine-2-ones Pyrrolidine-3-ones Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Thiadiazoles Pyrroles Cyclic ketones Lactams Sulfenyl compounds Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Tertiary carboxylic acid amide - Azole - Vinylogous acid - Pyrrole - Thiadiazole - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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