Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(CCC[N+]2=CNC=C2)C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=JFRHTRUOCCAHLP-UHFFFAOYSA-O
Formula
C23H25N4O4S
Mass
453.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Pyrroline carboxylic acids and derivatives Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles Methoxybenzenes Aryl ketones Alkyl aryl ethers N-substituted imidazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Vinylogous acid - Imidazole - Azole - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Lactam - Ketone - Carboxamide group - Ether - Enol - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available