56697553
  -OEChem-05082404462D

 53 55  0     0  0  0  0  0  0999 V2000
    7.2437    1.6908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    3.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    2.3294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.4025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    3.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318    5.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951    3.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4896    3.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884    4.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0774    3.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6762    4.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    4.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335    3.8668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2502    4.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    5.3869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8673    5.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7302    4.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7418    2.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    4.1168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6940    3.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240    5.4274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0351    5.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  2  0  0  0  0
  5 30  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  7 21  1  0  0  0  0
  8 30  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 17  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  1  0  0  0  0
 23 42  1  0  0  0  0
 24 28  2  0  0  0  0
 24 43  1  0  0  0  0
 25 30  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56697553

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
675

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQQAAAADAzh2AYzxoNABAioAiVSdAKCGAFgIhAJiABO7MgPJiKEuZ+DOCLk1hGK6YeQwBAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-ethoxy-4-[(Z)-(3-ethyl-4-oxo-2-phenylimino-5-thiazolidinylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-ethoxy-4-[(<I>Z</I>)-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23N3O4S/c1-3-25-21(27)19(30-22(25)24-16-8-6-5-7-9-16)13-15-10-11-17(29-14-20(23)26)18(12-15)28-4-2/h5-13H,3-4,14H2,1-2H3,(H2,23,26)/b19-13-,24-22?

> <PUBCHEM_IUPAC_INCHIKEY>
OFTAZRVCBGBFIM-GIFQUSADSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
425.14092740

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
425.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)N)OCC)SC1=NC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)N)OCC)/SC1=NC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.14092740

> <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>
13  15  8
13  18  8
15  16  8
16  19  8
18  20  8
19  20  8
21  23  8
21  24  8
23  27  8
24  28  8
27  29  8
28  29  8

$$$$