U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO5S
Molecular Weight 269.274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-HYDROXY-2-METHYL-2H-1,2-BENZOTHIAZINE-3-CARBOXYLATE 1,1-DIOXIDE

SMILES

COC(=O)C1=C(O)C2=CC=CC=C2S(=O)(=O)N1C

InChI

InChIKey=NGHIOTWSWSQQNT-UHFFFAOYSA-N
InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H11NO5S
Molecular Weight 269.274
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
Z7C4J6BW2K
Record Status Validated (UNII)
Record Version