Compound Identification
SMILES
COCCCN1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=HZRKVCJTSMPAKV-UHFFFAOYSA-N
Formula
C22H26N2O6S
Mass
446.52
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
Dimethoxybenzenes Pyrroline carboxylic acids and derivatives Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles Aryl ketones Alkyl aryl ethers Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Enols Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Lactam - Ketone - Carboxamide group - Ether - Enol - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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