Compound Identification
SMILES
CCOCCOC1=C(C)C=C(OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC2=CC=C(CN(C)C3CCOCC3)C=C2)C=C1C
InChIKey
InChIKey=YWBFVNMCRSERAD-UHFFFAOYSA-N
Formula
C36H44N2O7S
Mass
648.82
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
Diarylethers Anilides Benzylamines m-Xylenes N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Alkyl aryl ethers Aralkylamines Oxanes Sulfones Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diaryl ether - Anilide - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-arylamide - Xylene - M-xylene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Oxane - Sulfone - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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