Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(S2)C2=CC=CC=C2COC1C1=CC=C(OCCN2CCCCC2)C=C1
InChIKey
InChIKey=YQYVGRYAJHULBE-UHFFFAOYSA-N
Formula
C30H31NO3S
Mass
485.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Thienobenzoxepines
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Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Thienobenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Thienobenzoxepines
Alternative Parents
1-benzothiophenes Phenoxy compounds Anisoles Alkyl aryl ethers Piperidines Thiophenes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienobenzoxepine - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienobenzoxepines. These are compounds containing a benzoxepine fused to a thiophene ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available