Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCCC1C1=NN=C2SCC(=NN12)C1=CC=C(Br)C=C1
InChIKey
InChIKey=CWXOULGZVHMQKI-UHFFFAOYSA-N
Formula
C19H22BrN5O2S
Mass
464.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
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Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
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Subclass
Pyrrolidine carboxylic acids and derivatives
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Bromobenzenes Alkylarylthioethers Aryl bromides Triazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Pyrrolidine carboxylic acid - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Azacycle - Thioether - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available