Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CSC1=NN=C(NCC=C)S1

InChIKey

InChIKey=KFPUBNTUHNQIKW-SECBINFHSA-N

Formula

C13H18N4O3S3

Mass

374.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiazinanes

Subclass

Thiomorpholines

Intermediate Tree Nodes

Not available

Direct Parent

Thiomorpholine carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiomorpholine-2-carboxylic acid - Aryl thioether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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

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