5204759
  -OEChem-04182401292D

 48 51  0     0  0  0  0  0  0999 V2000
    5.6808    2.4084    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9252    4.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7631    2.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195   -0.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    2.8696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    3.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2310    4.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1821    4.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7173    3.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0721    3.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2631    3.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    2.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4540    3.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1448    5.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6114    4.5067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2777    2.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0573    2.2903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6707    5.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8910    5.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8036    2.5328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3370    3.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2631    4.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8644    3.3895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4274    0.8714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  2 30  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5 21  2  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 44  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  3  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5204759

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
707

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQBAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAAABwAAAHwQQAAAACAzh0A4wxIPABEiIAKVSUACCCABtIhAIiAGObMgOZjLEtbufOSjk1jHY6Ye8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-fluorophenyl)-2-[5-[(5-morpholino-2-furyl)methylene]-2,4-dioxo-thiazolidin-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-fluorophenyl)-2-[5-[[5-(4-morpholinyl)-2-furanyl]methylidene]-2,4-dioxo-3-thiazolidinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-fluorophenyl)-2-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-fluorophenyl)-2-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-fluorophenyl)-2-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2,4-diketo-5-[(5-morpholino-2-furyl)methylene]thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18FN3O5S/c21-13-1-3-14(4-2-13)22-17(25)12-24-19(26)16(30-20(24)27)11-15-5-6-18(29-15)23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
MQXJLWKUCSPXST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
431.09512002

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18FN3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
431.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
117

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.09512002

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
16  18  8
17  18  8
19  20  1
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  15  8
4  17  8

$$$$