54734370
  -OEChem-04182406552D

 38 40  0     0  0  0  0  0  0999 V2000
    9.8744   -0.1353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   -2.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 21  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 22  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54734370

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
553

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OABAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEABwAAAHgQQCAAADAyF0AKyx4LABgiMAiVSUACDCIAhKhBIiB0HbMgOJyrs8ZuFcCxn1BX4+QewYAwAAEAACAAAEAAAgAAQAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4<I>H</I>-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,4-dimethoxyphenyl)-7-oxidanyl-5-oxidanylidene-4H-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-dimethoxyphenyl)-7-hydroxy-5-keto-4H-thieno[3,2-b]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O5S/c1-22-8-3-4-9(11(7-8)23-2)17-15(20)12-13(19)14-10(5-6-24-14)18-16(12)21/h3-7H,1-2H3,(H,17,20)(H2,18,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
NFDQOYXSOQDEAZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
346.06234272

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
346.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(C=CS3)NC2=O)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(C=CS3)NC2=O)O)OC

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
346.06234272

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  18  8
10  12  8
10  13  8
11  12  8
15  17  8
15  19  8
16  18  8
17  20  8
19  22  8
20  21  8
21  22  8
7  13  8
7  9  8
9  11  8
9  16  8

$$$$