Compound Identification
SMILES
OC=O.CC[N+]([O-])(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1
InChIKey
InChIKey=KJESRZVZYOHJBY-UHFFFAOYSA-N
Formula
C21H26N2O5S
Mass
418.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiochromenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiochromenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiochromenes
Alternative Parents
1-benzothiopyrans Secondary alkylarylamines Benzenoids Vinylogous amides Trialkyl amine oxides Heteroaromatic compounds Trisubstituted amine oxides and derivatives Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Aromatic alcohols Carbonyl compounds Primary alcohols Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Thiochromene - 1-benzothiopyran - Benzothiopyran - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Trialkyl amine oxide - Heteroaromatic compound - N-oxide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Trisubstituted n-oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic alcohol - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
External Descriptors
Not available