65679
  -OEChem-04242418212D

 36 39  0     1  0  0  0  0  0999 V2000
    8.1282   -0.5209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6282   -1.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282   -0.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -2.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0209    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5961   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -2.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    2.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6422   -2.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822   -2.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715    0.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -3.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -2.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  5 14  2  0  0  0  0
  6 18  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  9 21  1  0  0  0  0
  9 24  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65679

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
741

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OABAAAAAAAAAAAAAAAAAAAAAAAA8QIEAAAAAAACxwAAAHgQAQAAADAzB2gQ/uZMIFAKoAjd3fHDCiDkxIiAJ2Di4bNiIZuLAubmcMAhsxSPI6SeQwCAOAAAAAAAEAAAAAAAAAAgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methyl-6,6-dioxo-3-(2-pyridyl)-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-6,6-dioxo-3-(2-pyridinyl)-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-6,6-bis(oxidanylidene)-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6-diketo-5-methyl-3-(2-pyridyl)-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OEHFRZLKGRKFAS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
357.04194163

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
357.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=O)N(C2=O)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=O)N(C2=O)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.04194163

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  13  8
10  14  8
11  12  8
11  16  8
12  17  8
16  19  8
17  20  8
19  20  8
2  13  8
2  18  8
21  22  8
22  23  8
23  25  8
24  25  8
8  14  8
8  18  8
9  21  8
9  24  8

$$$$