6300397
  -OEChem-04252413242D

 48 51  0     0  0  0  0  0  0999 V2000
    6.8432    0.6003    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -5.7361    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    3.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6219    1.9275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820   -1.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606   -1.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    4.4490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    0.2639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -1.7361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    3.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    5.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    4.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    4.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    4.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    4.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432    1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3651    1.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1741   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -4.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945   -4.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -4.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    5.4487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    6.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    3.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475    3.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    6.2835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    6.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    4.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216    3.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    5.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0609    4.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    2.4447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840   -0.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916   -1.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1256   -2.9261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315   -2.9261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1256   -4.5461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315   -4.5461    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
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 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  0  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>
6300397

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(5E)-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)/b16-11+

> <PUBCHEM_IUPAC_INCHIKEY>
MQXJLWKUCSPXST-LFIBNONCSA-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=C/3\C(=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>
1

> <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>
15  16  8
16  18  8
17  18  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  15  8
4  17  8

$$$$