Compound Identification
SMILES
OC(=O)C1=CC=C(CSC2=NNC(N2C[C@@H]2CCCO2)=C2C=CC(=O)C=C2)C=C1
InChIKey
InChIKey=KBBPAWAZFNJBQW-SFHVURJKSA-N
Formula
C21H21N3O4S
Mass
411.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
P-quinomethanes Benzoyl derivatives Triazolines Oxolanes Ketene acetals Sulfenyl compounds Oxacyclic compounds Hydrazones Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - P-quinomethane - Quinomethane - Triazoline - Oxolane - Ketene acetal or derivatives - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available