Compound Identification
SMILES
CCOC(=O)C1C(NC(C(C(=O)OC)S1(=O)=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FVPWVBLGYHLKEH-UHFFFAOYSA-N
Formula
C21H21N3O10S
Mass
507.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Thiazinanes
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Subclass
Thiomorpholines
- Level 5 Phenylthiomorpholines
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Subclass
Thiomorpholines
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Class
Thiazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazinanes
Subclass
Thiomorpholines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylthiomorpholines
Alternative Parents
Thiomorpholine carboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Aralkylamines Dicarboxylic acids and derivatives Sulfones Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylthiomorpholine - Nitrobenzene - Thiomorpholine-2-carboxylic acid - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Sulfone - Methyl ester - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Organic oxoazanium - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
External Descriptors
Not available