3153587
  -OEChem-05142405562D

 44 46  0     1  0  0  0  0  0999 V2000
    5.5116    1.3717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    3.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.9809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    4.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    3.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    5.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305    1.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    4.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4464    3.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    6.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531    6.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5 22  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3153587

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
528

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQQAAAACAyl0AKyxoPABAiIACVSUACCCABhIhAIiAEGbIgMJjLksZuGOCjk1DHI6Ae1QAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,4-dioxo-3-phenyl-thiazolidin-5-yl)-N-(4-ethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(4-ethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-<I>N</I>-(4-ethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-ethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2,4-bis(oxidanylidene)-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,4-diketo-3-phenyl-thiazolidin-5-yl)-N-p-phenetyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O4S/c1-2-25-15-10-8-13(9-11-15)20-17(22)12-16-18(23)21(19(24)26-16)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
MNYUWNCXVJTNCT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
370.09872823

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
370.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.09872823

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
12  15  8
14  17  8
15  18  8
16  19  8
16  20  8
17  21  8
18  21  8
19  23  8
20  24  8
22  23  8
22  24  8
8  9  3

$$$$