Compound Identification
SMILES
OC(=O)CCC([O-])=O.C[NH+](C)CC\C=C1\C2=CC=CC=C2CSC2=C1C=CC(Cl)=C2
InChIKey
InChIKey=TUBURGXQLSDVKU-LIUCOPNQSA-N
Formula
C23H26ClNO4S
Mass
447.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Alkylarylthioethers Fatty acids and conjugates Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Quaternary ammonium salts Trialkylamines Carboxylic acid salts Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Quaternary ammonium salt - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available