63231509
  -OEChem-05092417302D

 32 34  0     0  0  0  0  0  0999 V2000
    6.0812    2.1598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.5503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1648   -2.9751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648   -1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    1.0260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -1.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848   -0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548   -1.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7018   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 21  3  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63231509

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
413

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQQAAAADAyB3gIyx7JIFAi0ByRiRACj+KBhKjhImDw27JgNpqLksZuMMC5k0BFK6A+QwBAOIACBACAAQQBAAQIAQACCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(6-amino-1,3-benzothiazol-2-yl)oxy]-3-methoxy-benzonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(6-amino-1,3-benzothiazol-2-yl)oxy]-3-methoxybenzonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(6-amino-1,3-benzothiazol-2-yl)oxy]-3-methoxybenzonitrile

> <PUBCHEM_IUPAC_NAME>
4-[(6-amino-1,3-benzothiazol-2-yl)oxy]-3-methoxybenzonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(6-azanyl-1,3-benzothiazol-2-yl)oxy]-3-methoxy-benzenecarbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(6-amino-1,3-benzothiazol-2-yl)oxy]-3-methoxy-benzonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11N3O2S/c1-19-13-6-9(8-16)2-5-12(13)20-15-18-11-4-3-10(17)7-14(11)21-15/h2-7H,17H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LUTFAXAPVKWEKL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
297.05719778

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
297.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=CC(=C1)C#N)OC2=NC3=C(S2)C=C(C=C3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=CC(=C1)C#N)OC2=NC3=C(S2)C=C(C=C3)N

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.05719778

> <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  10  8
1  7  8
11  14  8
12  14  8
13  15  8
13  16  8
15  17  8
16  19  8
17  18  8
18  19  8
4  10  8
4  8  8
7  8  8
7  9  8
8  11  8
9  12  8

$$$$