Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1N(CCOCCO)C(=O)C(O)=C1C(=O)C1=CC=CS1
InChIKey
InChIKey=WJKPUIRQUWKDDF-KRWDZBQOSA-N
Formula
C20H21NO6S
Mass
403.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Pyrroline carboxylic acids and derivatives Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Alkyl aryl ethers Vinylogous acids Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Enols Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Phenoxy compound - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Methoxybenzene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Thiophene - Vinylogous acid - Carboxamide group - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Primary alcohol - 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