35572430
  -OEChem-04242404292D

 48 49  0     0  0  0  0  0  0999 V2000
    5.6783   -1.6029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211    1.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    1.1633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -3.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -0.7982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -1.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6318    2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619   -2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    0.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    0.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    0.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    0.2579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5719   -0.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -2.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3695   -3.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1787    2.3599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0143    3.1398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -1.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249   -0.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8445   -2.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4254    3.8103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    2.9822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -3.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 23  1  0  0  0  0
  6 48  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 35  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
35572430

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAEgBgAAAHgQQCAAADETh2AYDiYPABgiMAgDQWACDAIBlCBkAiBEITMiKNjrgtJmGEYhuxgN46WeYfB5OgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[[2-hydroxyethyl(methyl)amino]-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24N2O5S/c1-5-22-14(20)12-10-8-16(2,3)23-9-11(10)24-13(12)17-15(21)18(4)6-7-19/h19H,5-9H2,1-4H3,(H,17,21)

> <PUBCHEM_IUPAC_INCHIKEY>
MVRSSYDOZIYHDR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
356.14059304

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
356.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N(C)CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N(C)CCO

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.14059304

> <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  12  8
1  17  8
11  12  8
11  16  8
16  17  8

$$$$