-ISIS-  08091621332D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -0.0292   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -2.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
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 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
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  7  8  1  0  0  0  0
  4  9  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <ID> (BBL000794)
BBL000794

>  <Rotatable_Bonds> (BBL000794)
0

>  <logP> (BBL000794)
2.48

>  <PSA> (BBL000794)
66.9

>  <H_Donors> (BBL000794)
0

>  <H_Acceptors> (BBL000794)
2

>  <Number_of_rings> (BBL000794)
3

>  <NAME> (BBL000794)
2-methyl-5-phenyl-4H-thieno[2,3-d][1,3]oxazin-4-one

>  <Mol_Weight> (BBL000794)
243.29

>  <Mol_Formula> (BBL000794)
C13H9NO2S

>  <Smiles> (BBL000794)
Cc1oc(=O)c2c(n1)scc2c1ccccc1

>  <Alternative_identifier> (BBL000794)
MFCD00450854

$$$$