Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1N(C2=NN=C(C)S2)C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=LUPKROXUKCDZTM-UHFFFAOYSA-N
Formula
C20H18N4O5S2
Mass
458.51
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
Methoxyphenols 2,4,5-trisubstituted thiazoles Pyrroline carboxylic acids and derivatives Anisoles Phenoxy compounds Aryl ketones Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Methoxyphenol - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Phenol ether - Phenoxy compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Thiazole - Thiadiazole - Pyrrole - Azole - Tertiary carboxylic acid amide - Ketone - Lactam - Carboxamide group - Carboxylic acid derivative - Enol - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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