zaltoprofen
  CDK     0222171955

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7795   -1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -1.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -3.0183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522   -1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522   -3.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730   -3.4402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -3.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  2  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 19 21  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:32306

> <NAME>
Zaltoprofen

> <STAR>
2

> <SYNONYM>
Zaltoprofen; soleton; Peon (TN); CN 100

> <FORMULA>
C17H14O3S; C17H14O3S

> <MASS>
298.358

> <MONOISOTOPIC_MASS>
298.06637

> <CHARGE>
0

> <SMILES>
C(C(O)=O)(C)C=1C=C2C(=CC1)SC3=C(C(C2)=O)C=CC=C3

> <INCHI>
InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)

> <INCHIKEY>
MUXFZBHBYYYLTH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
74711-43-6

> <KEGG_DRUG_ACCESSION>
D01547

$$$$