52937414
  -OEChem-04252408222D

 42 44  0     0  0  0  0  0  0999 V2000
    6.3776    3.4588    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    4.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    5.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    4.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    5.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 26  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 10  2  0  0  0  0
  4 25  2  0  0  0  0
  5 26  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 42  1  0  0  0  0
  8 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 22  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52937414

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
578

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQQAAAADAyh2AYyxoPABAiIAiVSUAKCCABhIhAIiABObMgOJiLEsZ+HOCjkxjHY6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[(Z)-(2,4-dioxothiazolidin-5-ylidene)methyl]phenoxy]-N-methyl-N-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[(Z)-(2,4-dioxo-5-thiazolidinylidene)methyl]phenoxy]-N-methyl-N-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[(<I>Z</I>)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-<I>N</I>-methyl-<I>N</I>-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-methyl-N-phenylacetamide

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[(Z)-(2,4-diketothiazolidin-5-ylidene)methyl]phenoxy]-N-methyl-N-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16N2O4S/c1-21(14-5-3-2-4-6-14)17(22)12-25-15-9-7-13(8-10-15)11-16-18(23)20-19(24)26-16/h2-11H,12H2,1H3,(H,20,23,24)/b16-11-

> <PUBCHEM_IUPAC_INCHIKEY>
IZSQBITVWHMICI-WJDWOHSUSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
368.08307817

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
368.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)S3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.08307817

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  13  8
11  14  8
12  15  8
12  16  8
13  15  8
14  16  8
18  22  8
19  23  8
22  24  8
23  24  8
8  18  8
8  19  8

$$$$