Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(C)C1=CC2=C(SC3=C(CC2N2CCN(C)CC2)C=CC=N3)C=C1
InChIKey
InChIKey=MLMVRFPUEKGWGD-SPIKMXEPSA-N
Formula
C29H35N3O8S
Mass
585.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Diarylthioethers Cumenes N-methylpiperazines Aralkylamines Unsaturated fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzothiepin - Diarylthioether - Cumene - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available