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3,4-dihydro-4-methoxycarbonyl-2-methyl-3-oxo-2H-thieno[2,3-e] 1,2-thiazine 1,1-dioxide

HCID 16639935
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1C(=O)N(C)S(=O)(=O)c2ccsc21
InChIKey
UHIHALQFJZYXPX-UHFFFAOYSA-N
Molecular formula
C9H9NO5S2
Average molar mass
275.3 g/mol

Names & identifiers

Preferred name
3,4-dihydro-4-methoxycarbonyl-2-methyl-3-oxo-2H-thieno[2,3-e] 1,2-thiazine 1,1-dioxide
IUPAC
methyl 2-methyl-1,1,3-trioxo-4H-thieno[2,3-e]thiazine-4-carboxylate

Names & synonyms

SCHEMBL11534738UHIHALQFJZYXPX-UHFFFAOYSA-NAKOS000282019AKOS0407654653,4-dihydro-4-methoxycarbonyl-2-methyl-3-oxo-2H-thieno[ 2,3-e] 1,2-thiazine 1,1-dioxide3,4-dihydro-4-methoxycarbonyl-2-methyl-3-oxo-2H-thieno[2,3-e]1,2-thiazine 1,1-dioxide

Database identifiers

PubChem CID
16639935

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
117 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
454

Related reactions

4 records
New reaction record
HRID 46732 reaction equation
HRID 46732As reactantuspto-grants-1979_11
HRID 46733 reaction equation
HRID 46733As reactantuspto-grants-1979_11
HRID 192013 reaction equation
HRID 192013As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 372264 reaction equation
HRID 372264As reactantuspto-grants-1978_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes