5310447
  -OEChem-05152410542D

 31 34  0     0  0  0  0  0  0999 V2000
    6.2081    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.7808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3743    0.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6840    0.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -0.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -0.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4817   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6 20  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5310447

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
460

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAAWJAAAAwQAAAAAAAAFgB8AAAHgQQAAAACAyh1gMx37LIFAisASVydAKD+KlhKjlBmDx27NifJqLkuJ+nMCpuwRte6KewUAMAAMAABgAAQQABgAAMAACCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-dioxin-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-p-dioxin-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N2O5S/c16-12(10-5-17-1-2-18-10)15-13-14-7-3-8-9(20-6-19-8)4-11(7)21-13/h3-5H,1-2,6H2,(H,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
ZLBALECABDZFAP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
306.03104260

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
306.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC(=CO1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC(=CO1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.03104260

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
1  15  8
1  9  8
10  14  8
11  12  8
11  13  8
12  14  8
7  10  8
7  15  8
9  10  8
9  13  8

$$$$