Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.COC1=CC2=C(SC3=CC=CC=C3C=C2N2CCN(CCCO)CC2)C=C1
InChIKey
InChIKey=MCIFGSXQQUUYCY-BTJKTKAUSA-N
Formula
C26H30N2O6S
Mass
498.59
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 N-alkylpiperazines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives 1,3-aminoalcohols Trialkylamines Enamines Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Enamine - Ether - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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