Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C(O)C(=O)N(C1C1=CC=C(OCC=C)C=C1)C1=NN=C(SCC2=CC=C(C)C=C2)S1
InChIKey
InChIKey=KYVFMTPUQVADLH-UHFFFAOYSA-N
Formula
C29H26N4O4S3
Mass
590.73
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
2,4,5-trisubstituted thiazoles Pyrroline carboxylic acids and derivatives Phenoxy compounds Phenol ethers Aryl ketones Toluenes Alkyl aryl ethers Alkylarylthioethers Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aryl thioether - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Azole - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Ether - Enol - Carboxylic acid derivative - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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