CDK     0521202331

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.7181  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193  -14.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044  -14.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880  -14.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909  -13.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062  -12.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0087  -12.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955  -11.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7244  -11.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5124  -11.9457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606  -12.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644  -12.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252  -11.9506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613  -11.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662  -10.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833  -10.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -9.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -8.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5433   -9.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450  -10.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594  -10.6402    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4327  -12.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5764  -14.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5765  -15.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1378  -15.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526  -15.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8486  -14.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338  -14.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907  -15.8140    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683  -15.8091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488  -13.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0  0  0  0 
  3  4  2  0  0  0  0 
 15 16  2  0  0  0  0 
  7  8  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
  7  9  2  0  0  0  0 
 18 19  1  0  0  0  0 
  4  5  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
  8 10  1  0  0  0  0 
 20 21  1  0  0  0  0 
 10 11  1  0  0  0  0 
  1 22  1  0  0  0  0 
  2  3  1  0  0  0  0 
  5  6  2  0  0  0  0 
 23 24  2  0  0  0  0 
  6  1  1  0  0  0  0 
 24 25  1  0  0  0  0 
  1  2  2  0  0  0  0 
 25 26  2  0  0  0  0 
 11 12  1  0  0  0  0 
 26 27  1  0  0  0  0 
 12 13  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 23  1  0  0  0  0 
  4 23  1  0  0  0  0 
 13 14  1  0  0  0  0 
 24 29  1  0  0  0  0 
 14 10  1  0  0  0  0 
 26 30  1  0  0  0  0 
  6  7  1  0  0  0  0 
 11 31  2  0  0  0  0 
M  END
> <ID>
CHEBI:149980

> <NAME>
5-(2,4-Difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

> <STAR>
2

> <FORMULA>
C22H15F3N2O3S

> <MASS>
444.430

> <MONOISOTOPIC_MASS>
444.07555

> <CHARGE>
0

> <SMILES>
C=1(O)C(=CC(=CC1)C2=C(C=C(C=C2)F)F)C(NN3C(CSC3C4=CC=CC=C4F)=O)=O

> <INCHI>
InChI=1S/C22H15F3N2O3S/c23-13-6-7-14(18(25)10-13)12-5-8-19(28)16(9-12)21(30)26-27-20(29)11-31-22(27)15-3-1-2-4-17(15)24/h1-10,22,28H,11H2,(H,26,30)

> <INCHIKEY>
UTHJWIWNDNWLSF-UHFFFAOYSA-N

$$$$