Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.C(CNC1(C2=CC=CC=C2)C2=CC=CC=C2CSC2=CC=CC=C12)CN1CCOCC1
InChIKey
InChIKey=KJCQPYRFOMQVPU-WLHGVMLRSA-N
Formula
C31H34N2O5S
Mass
546.68
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
Aralkylamines Alkylarylthioethers Unsaturated fatty acids Morpholines Dicarboxylic acids and derivatives Benzene and substituted derivatives Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid - Ether - Secondary amine - Carboxylic acid derivative - Thioether - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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