59009046
  -OEChem-04252411552D

 25 27  0     0  0  0  0  0  0999 V2000
    6.4260   -1.0347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9429    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5411    1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5411   -1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9429   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59009046

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
389

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACxAAAAHgQQAAAADAzF2ASwAILAAAiIAqRSQAACAAAkABAIiIGIAMgIIDKglTGEIQAgkACoiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,4-dihydro-2<I>H</I>-benzo[g][1,4]benzothiazine-5,10-dione

> <PUBCHEM_IUPAC_NAME>
3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,4-dihydro-2H-benzo[g][1,4]benzothiazine-5,10-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H9NO2S/c14-10-7-3-1-2-4-8(7)11(15)12-9(10)13-5-6-16-12/h1-4,13H,5-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
JMVZBRYELLDSGM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
231.03539970

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9NO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
231.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CSC2=C(N1)C(=O)C3=CC=CC=C3C2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CSC2=C(N1)C(=O)C3=CC=CC=C3C2=O

> <PUBCHEM_CACTVS_TPSA>
71.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
231.03539970

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
13  15  8
14  16  8
15  16  8
8  10  8
8  13  8

$$$$