Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCCSC1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=RSQIONOQBFEBKD-UHFFFAOYSA-N
Formula
C25H30ClNO7S2
Mass
556.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
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 Tricarboxylic acids and derivatives Benzenoids Aryl chlorides Alpha hydroxy acids and derivatives Tertiary alcohols Trialkylamines Sulfenyl compounds Dialkylthioethers Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Tricarboxylic acid or derivatives - Aryl thioether - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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