Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(C(=O)C2=CC=C(C)O2)=C(O)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=LVDGGUQLFRVYNF-UHFFFAOYSA-N
Formula
C22H18N2O6S
Mass
438.45
Taxonomic Classification
Taxonomy Tree
-
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
2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Aryl ketones Pyrroline carboxylic acids and derivatives Benzene and substituted derivatives Vinylogous acids Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Methyl esters Lactams Enols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Thiazolecarboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Methyl ester - Vinylogous acid - Lactam - Ketone - Carboxamide group - Carboxylic acid ester - Enol - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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