Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.COC1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=C(Cl)C=C3)C=C1
InChIKey
InChIKey=MPIZUVQCQNQYHV-BTJKTKAUSA-N
Formula
C25H29ClN2O6S
Mass
521.03
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 Anisoles Alkyl aryl ethers Aralkylamines N-alkylpiperazines Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives 1,2-aminoalcohols Trialkylamines Carboxylic acids Azacyclic compounds Organochlorides Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Phenol ether - Anisole - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Dicarboxylic acid or derivatives - 1,4-diazinane - Aryl halide - Piperazine - Aryl chloride - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Carboxylic acid - Thioether - Carboxylic acid derivative - Azacycle - Ether - Alkanolamine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alcohol - 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