Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1N(C2=NN=C(C)S2)C(=O)C(=O)C1=C(O)C1=CC=C(C)C=C1
InChIKey
InChIKey=VXLXDLHPHFWGLO-UHFFFAOYSA-N
Formula
C23H21N3O5S
Mass
451.5
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
Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Toluenes Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Thiadiazoles Lactams Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Thiadiazole - Tertiary carboxylic acid amide - Azole - Vinylogous acid - Heteroaromatic compound - Pyrrole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Azacycle - Ether - Enol - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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