Compound Identification
SMILES
OC(=O)C1=NC=C(C=O)[C@H](SC1[O-])C1=CN2C(SC3=C2CCC3)=N1
InChIKey
InChIKey=KASFNUMATXXBDK-NBFOIZRFSA-N
Formula
C15H12N3O4S2
Mass
362.4
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 Thiazoles Heteroaromatic compounds Ketimines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkoxides Aldehydes Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-thiazepine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Thiazole - Ketimine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Thioether - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Imine - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aldehyde - Alkoxide - Organic anion - 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
Not available