Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(CN2CCOC(C2)C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1

InChIKey

InChIKey=INFRXZHVTNHELZ-LWKPJOBUSA-N

Formula

C21H20ClFN4O5S

Mass

494.92

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxazinanes

Subclass

Morpholines

Intermediate Tree Nodes

Morpholine carboxylic acids and derivatives

Direct Parent

Morpholine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Morpholine-2-carboxylic acid - Halobenzene - Fluorobenzene - Fatty acid ester - Chlorobenzene - Fatty acyl - Imidolactam - Benzenoid - Monosaccharide - Hydropyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiazole - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.

External Descriptors

Not available

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