Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=CC2=CC=CS2)C1=O)C1=CC(C)=CC(C)=C1
InChIKey
InChIKey=XLTBOQOGUBSVSB-UHFFFAOYSA-N
Formula
C20H19NO3S
Mass
353.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
m-Xylenes Aniline and substituted anilines Tertiary alkylarylamines Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Pyrroles Thiophenes Cyclic ketones Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Enamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - M-xylene - Xylene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Thiophene - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Cyclic ketone - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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