Compound Identification
SMILES
COC(=O)[C@H]1CN(CCS1)C(=O)C1=CC=CC=N1
InChIKey
InChIKey=DAGOFFNRXPYUMD-SNVBAGLBSA-N
Formula
C12H14N2O3S
Mass
266.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiazinanes
- Subclass Thiomorpholines
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Class
Thiazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazinanes
Subclass
Thiomorpholines
Intermediate Tree Nodes
Not available
Direct Parent
Thiomorpholine carboxylic acids and derivatives
Alternative Parents
Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Thiomorpholine-2-carboxylic acid - 2-heteroaryl carboxamide - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiomorpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a thiomorpholine ring substituted by one or more carboxylic acid groups (or derivative thereof). Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
External Descriptors
Not available