Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.C[NH+](C)CCOC1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=OUAVKJXGGHWHBO-BTJKTKAUSA-N
Formula
C22H24ClNO5S
Mass
449.95
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
Diarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Quaternary ammonium salts Trialkylamines Carboxylic acid salts Dialkyl ethers Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Quaternary ammonium salt - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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