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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiazepines
- Subclass Para thiazepines
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Class
Thiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazepines
Subclass
Para thiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Para thiazepines
Alternative Parents
N-substituted imidazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
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