11630874
  -OEChem-05072405142D

 29 31  0     0  0  0  0  0  0999 V2000
    4.5661    2.7308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -0.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934    3.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5366    4.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    4.1321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812    1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5879    2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    3.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6706    3.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6677   -0.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334    1.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    1.5445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    4.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  2  0  0  0  0
  6 21  2  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11630874

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOQBAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHwQQCAAADASB2AgwBoLABkiIAqFSEACCCABkIBAIiAEGCMgMJzaGNRqCeWCl5DEIuYeIyPCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-5-[[5-(4-fluoro-2-hydroxy-phenyl)-2-furyl]methylene]thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-5-[[5-(4-fluoro-2-hydroxy-phenyl)-2-furyl]methylene]thiazolidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-

> <PUBCHEM_IUPAC_INCHIKEY>
OYYVWNDMOQPMGE-SDQBBNPISA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
305.01580707

> <PUBCHEM_MOLECULAR_FORMULA>
C14H8FNO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
305.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1F)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.01580707

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  12  8
11  12  8
14  17  8
15  18  8
17  20  8
18  20  8
3  10  8
3  8  8
8  11  8
9  14  8
9  15  8

$$$$