3-(2-methoxy-6,6-dimethyl-4,4-dioxo-5,6-dihydro-4H-4lambda*6*-[1,4,3]oxathiazin-5-yl)benzoic acid methyl ester

HCID 68359291
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Basic information

Standard SMILES
COC(=O)c1cccc(C2C(C)(C)OC(OC)=NS2(=O)=O)c1
InChIKey
YYMOAJSJYWPORG-UHFFFAOYSA-N
Molecular formula
C14H17NO6S
Average molar mass
327.35 g/mol
Monoisotopic mass
327.07765844

Names & identifiers

Preferred name
3-(2-methoxy-6,6-dimethyl-4,4-dioxo-5,6-dihydro-4H-4lambda*6*-[1,4,3]oxathiazin-5-yl)benzoic acid methyl ester
IUPAC
methyl 3-(2-methoxy-6,6-dimethyl-4,4-dioxo-5H-1,4,3-oxathiazin-5-yl)benzoate

Names & synonyms

SCHEMBL12700027YYMOAJSJYWPORG-UHFFFAOYSA-N3-(2-methoxy-6,6-dimethyl-4,4-dioxo-5,6-dihydro-4H-4lambda*6*-[1,4,3]oxathiazin-5-yl)benzoic acid methyl ester

Database identifiers

PubChem CID
68359291

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
99.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
22

Related reactions

1 records
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Compound notes

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