CDK     1029232202

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1435    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -2.4751    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  2  0  0  0  0 
  6 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
 10 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
  6  9  1  0  0  0  0 
 10 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:204486

> <NAME>
7-hydroxy-5,6,8-tris(methylsulanyl)-4H-1,4-benzothiazin-3-one

> <STAR>
2

> <IUPAC_NAME>
7-hydroxy-5,6,8-tris(methylsulanyl)-4H-1,4-benzothiazin-3-one

> <FORMULA>
C11H13NO2S4

> <MASS>
319.470

> <MONOISOTOPIC_MASS>
318.98291

> <CHARGE>
0

> <SMILES>
S1C2=C(SC)C(O)=C(SC)C(=C2NC(C1)=O)SC

> <INCHI>
InChI=1S/C11H13NO2S4/c1-15-8-6-9(18-4-5(13)12-6)11(17-3)7(14)10(8)16-2/h14H,4H2,1-3H3,(H,12,13)

> <INCHIKEY>
LGWFEYRXZFNLSJ-UHFFFAOYSA-N

$$$$