Compound Identification
SMILES
CC(=O)OC1CC2N(C1)C(=O)C1=CC3=C(OCO3)C=C1NC2=S
InChIKey
InChIKey=KXZRFIFYMSGMRM-UHFFFAOYSA-N
Formula
C15H14N2O5S
Mass
334.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
Benzodioxoles Benzenoids Vinylogous amides Thiolactams Tertiary carboxylic acid amides Pyrrolidines Lactams Carboxylic acid esters Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - Benzodioxole - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Thiolactam - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Organic oxide - Thiocarbonyl group - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.
External Descriptors
Not available