Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=NC=C(C=O)[C@@H](SC1)C1=CN2CCOCC2=N1

InChIKey

InChIKey=CTKODGPKPNVQNS-GFCCVEGCSA-N

Formula

C13H13N3O4S

Mass

307.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiazepines

Subclass

Para thiazepines

Intermediate Tree Nodes

Not available

Direct Parent

Para thiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Para-thiazepine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Ketimine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Azacycle - Oxacycle - Aldehyde - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Imine - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as para thiazepines. These are compounds containing a para thiazepine moiety, which consists of an unsaturated seven-member ring with one nitrogen atom and one sulfur at positions 1 and 4, respectively, as well as two CC double bonds.

External Descriptors

CHEBI:46458 : thiazepinemonocarboxylic acid - imidazooxazine

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