Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=CC(OCC)=C(O)C=C1
InChIKey
InChIKey=AIFQFOOTHSIEGE-UHFFFAOYSA-N
Formula
C27H25N3O6S2
Mass
551.63
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
Benzothiazoles Pyrroline carboxylic acids and derivatives Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - 1,3-benzothiazole - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Aryl ketone - Pyrroline carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Thiazole - Tertiary carboxylic acid amide - Lactam - Ketone - Carboxamide group - Ether - Enol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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