Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCCC1C1=NN=C(O1)SCC1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=JHFZUBRZBBYWKQ-UHFFFAOYSA-N
Formula
C18H21Cl2N3O3S
Mass
430.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Dichlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Carbamate esters 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - 1,3-dichlorobenzene - Pyrrolidine carboxylic acid - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carbamic acid ester - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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