
 MLS000925214

 47 50  0  0  0  0  0  0  0  0999 V2000
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    2.8554    0.6810    0.0636 O   0  0  0  0  0
    4.1088    1.2138    0.0527 C   0  0  0  0  0
    5.1270    0.6358    0.4025 O   0  0  0  0  0
    4.0648    2.6324   -0.4734 C   0  0  0  0  0
    4.8096    2.7197   -1.8059 C   0  0  0  0  0
    4.8366    4.1575   -2.3135 C   0  0  0  0  0
    5.3912    5.0713   -1.3122 N   0  0  0  0  0
    4.7503    5.0074    0.0021 C   0  0  0  0  0
    4.6844    3.5864    0.5469 C   0  0  0  0  0
    5.9431    6.3253   -1.6612 C   0  0  0  0  0
    5.8418    7.2758   -0.8825 O   0  0  0  0  0
    6.6499    6.4548   -2.9320 C   0  0  0  0  0
    7.4614    5.5604   -3.6105 C   0  0  0  0  0
    7.9698    6.1043   -4.8307 C   0  0  0  0  0
    7.5921    7.4146   -4.9997 C   0  0  0  0  0
    6.5921    7.9669   -3.7487 S   0  0  0  0  0
    8.0483    8.1936   -6.1413 C   0  0  0  0  0
    7.6841    9.5250   -6.3824 C   0  0  0  0  0
    8.1890   10.2058   -7.4935 C   0  0  0  0  0
    9.0594    9.5636   -8.3719 C   0  0  0  0  0
    9.4305    8.2396   -8.1395 C   0  0  0  0  0
    8.9297    7.5529   -7.0305 C   0  0  0  0  0
    9.3894    6.2662   -6.8825 O   0  0  0  0  0
    8.8166    5.4262   -5.8537 C   0  0  0  0  0
    2.8847   -2.6803   -0.2132 H   0  0  0  0  0
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    2.3666   -1.4705   -1.4119 H   0  0  0  0  0
    3.4161   -0.8252    1.4119 H   0  0  0  0  0
    1.7259   -0.7939    0.9142 H   0  0  0  0  0
    3.0170    2.9206   -0.6312 H   0  0  0  0  0
    4.3340    2.0692   -2.5493 H   0  0  0  0  0
    5.8394    2.3575   -1.6845 H   0  0  0  0  0
    5.3800    4.1961   -3.2566 H   0  0  0  0  0
    3.8187    4.5026   -2.5342 H   0  0  0  0  0
    5.2927    5.6344    0.7190 H   0  0  0  0  0
    3.7421    5.4276   -0.1019 H   0  0  0  0  0
    5.6989    3.2537    0.8035 H   0  0  0  0  0
    4.1071    3.5722    1.4792 H   0  0  0  0  0
    7.6769    4.5608   -3.2512 H   0  0  0  0  0
    7.0145   10.0544   -5.7099 H   0  0  0  0  0
    7.9062   11.2410   -7.6682 H   0  0  0  0  0
    9.4542   10.0953   -9.2338 H   0  0  0  0  0
   10.1158    7.7419   -8.8203 H   0  0  0  0  0
    9.6525    4.9172   -5.3614 H   0  0  0  0  0
    8.2215    4.6598   -6.3642 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
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 26 47  1  0  0  0
M  END

>  <Chemical Name>
MLS000925214

>  <PubChem CID>
20877853

>  <Formula>
C20H21NO4S

>  <Molecular Weight>
371.451000

>  <IUPAC Name>
ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

>  <Isomeric SMILES>
CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

>  <InChI Std. ID>
InChI=1S/C20H21NO4S/c1-2-24-20(23)13-7-9-21(10-8-13)19(22)17-11-14-12-25-16-6-4-3-5-15(16)18(14)26-17/h3-6,11,13H,2,7-10,12H2,1H3

>  <InChI Key>
AHAXTSJEUDPYDC-UHFFFAOYSA-N

