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-N
Formula
C23H24N4O4S
Mass
452.53
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 Aryl ketones Methoxybenzenes Alkyl aryl ethers N-substituted imidazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Imidazole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Ketone - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - 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