Compound Identification
SMILES
CCOC(CC1=CC=C(OCCNC2C3=CC=CC=C3CSC3=CC=CC=C23)C=C1)C(=O)OCC
InChIKey
InChIKey=YBZIETUAKBXBRO-UHFFFAOYSA-N
Formula
C29H33NO4S
Mass
491.65
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
Phenoxy compounds Phenol ethers Fatty acid esters Aralkylamines Alkylarylthioethers Alkyl aryl ethers Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Thioether - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - 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