60343929
  -OEChem-05042406562D

 43 46  0     1  0  0  0  0  0999 V2000
    2.9278   -1.7863    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182    1.2512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001    2.2829    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -1.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6502   -0.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -0.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182   -0.7488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -0.7796    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6599   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881   -0.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522   -0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522    0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    0.7512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1582   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001    1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6502    1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536   -0.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742   -2.3614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700   -1.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991   -2.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962   -2.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5177    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394    1.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800   -0.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    1.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1654   -1.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    1.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7164    1.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182   -1.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1654    1.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9602    0.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1872    1.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3402    1.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 14  2  0  0  0  0
  5 25  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 32  1  0  0  0  0
  7 17  1  0  0  0  0
  7 25  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 13 21  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  2  0  0  0  0
 15 23  1  0  0  0  0
 16 22  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60343929

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
564

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBgAAAAAAAAAAAAAAAAAAAAAAA8aIEAAAAAAACxQAAAHwQQAAAADCjF2AyywYLAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLglZGEIQhglgDoyYcciICOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(6-fluorothiochroman-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(6-fluoro-3,4-dihydro-2<I>H</I>-thiochromen-4-yl)-2-methyl-3-oxo-4<I>H</I>-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6-fluorothiochroman-4-yl)-3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17FN2O2S2/c1-10-18(23)22-15-8-11(2-4-17(15)26-10)19(24)21-14-6-7-25-16-5-3-12(20)9-13(14)16/h2-5,8-10,14H,6-7H2,1H3,(H,21,24)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ALWVWRICINTCLF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
388.07154830

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17FN2O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
388.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
388.07154830

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  12  8
10  13  8
12  16  8
13  21  8
15  20  8
15  23  8
16  22  8
17  18  8
17  20  8
18  24  8
19  26  3
21  22  8
23  24  8
8  6  3

$$$$