66203832
  -OEChem-05072410252D

 32 35  0     0  0  0  0  0  0999 V2000
    5.5918   -0.2726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869    0.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869    2.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871    1.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5609    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2930    2.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    0.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949    0.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    2.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5609    2.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    2.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    0.0961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3020    0.6116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7038    1.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7038    2.1308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3020    2.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0240    2.5261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    3.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4300   -1.8848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    0.9212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300   -2.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66203832

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAFiR9AAAHgQQAAAADAyh3gIwx7JIFAikAyRiRACD+KBhKjhImDw27JgNJqLksZuGOC7k0BHq6Aew0BIOIACBACAAQQBAAQIAQACCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine

> <PUBCHEM_IUPAC_NAME>
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O2S/c16-10-2-3-11-14(8-10)20-15(17-11)9-1-4-12-13(7-9)19-6-5-18-12/h1-4,7-8H,5-6,16H2

> <PUBCHEM_IUPAC_INCHIKEY>
HLEUPCRMKGSYEK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
284.06194880

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
284.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC2=C(O1)C=CC(=C2)C3=NC4=C(S3)C=C(C=C4)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC2=C(O1)C=CC(=C2)C3=NC4=C(S3)C=C(C=C4)N

> <PUBCHEM_CACTVS_TPSA>
85.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.06194880

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  10  8
1  14  8
13  16  8
14  15  8
14  17  8
15  18  8
17  19  8
18  20  8
19  20  8
4  10  8
4  15  8
6  13  8
6  9  8
7  8  8
7  9  8
8  16  8

$$$$