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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Oxazinanes
- Subclass Morpholines
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Class
Oxazinanes
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Superclass
Organoheterocyclic compounds
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
Fluorobenzenes Fatty acid esters Chlorobenzenes Monosaccharides Imidolactams Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Thiazoles Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Carboximidamides Azacyclic compounds Amidines Organosulfur compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
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