56339191
  -OEChem-05231314522D

 45 47  0     0  0  0  0  0  0999 V2000
    6.3776    1.1650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.8036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1737    6.4283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    3.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.7741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    3.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    3.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3657    4.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    4.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7725    5.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670    5.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    3.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    4.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714    4.7706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    5.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.5360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.8206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.8914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.9652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  2  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 29  1  0  0  0  0
 15 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 25  2  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56339191

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
627

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHwQQAAAADAzh2A4yxoPABAiMAiVSUAKCCABhIhgIiIBObMgOJiLEsZ+HOCjk1hHY6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-ethyl-2-[4-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-ethyl-2-[4-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME>
N-ethyl-2-[4-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-ethyl-2-[4-[(Z)-[3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-ethyl-2-[4-[(Z)-[3-(4-fluorophenyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17FN2O3S2/c1-2-22-18(24)12-26-16-9-3-13(4-10-16)11-17-19(25)23(20(27)28-17)15-7-5-14(21)6-8-15/h3-11H,2,12H2,1H3,(H,22,24)/b17-11-

> <PUBCHEM_IUPAC_INCHIKEY>
XTICKIDLQSRFGK-BOPFTXTBSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
416.066463

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17FN2O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
416.488983

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
416.066463

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  19  8
12  15  8
12  16  8
15  20  8
16  21  8
17  20  8
17  21  8
18  22  8
19  23  8
22  25  8
23  25  8

$$$$