Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CN1CCC(CC1)OC1C2=CC=CC=C2CSC2=CC=CC=C12
InChIKey
InChIKey=BGXLRWSGMRKNJR-WLHGVMLRSA-N
Formula
C24H27NO5S
Mass
441.54
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 Unsaturated fatty acids Piperidines Dicarboxylic acids and derivatives Benzenoids Trialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - Alkylarylthioether - Dicarboxylic acid or derivatives - Piperidine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Dialkyl ether - Carboxylic acid - Ether - Carboxylic acid derivative - Thioether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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