Compound Identification
SMILES
COC1=C(OC)C=C2C3=NO[C@@H](CN4CCN(C\C=C(/C)C5=CC=CS5)CC4)[C@@H]3COC2=C1
InChIKey
InChIKey=JBOWHEDUACRXHK-KJMIXQDXSA-N
Formula
C25H31N3O4S
Mass
469.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Anisoles N-alkylpiperazines Alkyl aryl ethers Thiophenes Isoxazolines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Isoxazoline - Thiophene - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available