44202245
  -OEChem-04262413352D

 38 41  0     0  0  0  0  0  0999 V2000
    6.2081   -1.2307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    2.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -2.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4973    1.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1616    3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9817    0.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017   -1.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017    0.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4117   -0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   -3.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -3.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286   -2.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7509    2.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542    3.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723    3.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 24  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  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>
44202245

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OABAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB9AAAGgQAAAAADASA2AMyD8AABAiMAiDSCAADCIAkKBBIiBkGiMgdJjKkNRqgMSIkwBEuqQeI7PzOoIABBAAMQABBAAIIABiAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 6-(2-methoxyphenyl)thieno[2,3-f][1,3]benzodioxole-7-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
6-(2-methoxyphenyl)-7-thieno[2,3-f][1,3]benzodioxolecarboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 6-(2-methoxyphenyl)thieno[2,3-f][1,3]benzodioxole-7-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 6-(2-methoxyphenyl)thieno[2,3-f][1,3]benzodioxole-7-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 6-(2-methoxyphenyl)thieno[2,3-f][1,3]benzodioxole-7-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(2-methoxyphenyl)thieno[2,3-f][1,3]benzodioxole-7-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14O5S/c1-20-12-6-4-3-5-10(12)17-16(18(19)21-2)11-7-13-14(23-9-22-13)8-15(11)24-17/h3-8H,9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OUBVRVNSLAMRCL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
342.05619472

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
342.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1C2=C(C3=CC4=C(C=C3S2)OCO4)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C2=C(C3=CC4=C(C=C3S2)OCO4)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
82.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.05619472

> <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  10  8
1  8  8
11  12  8
12  13  8
13  14  8
15  18  8
15  19  8
18  20  8
19  21  8
20  22  8
21  22  8
7  11  8
7  8  8
7  9  8
8  14  8
9  10  8

$$$$