
 BRN 1379764

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2697    2.7446    4.3658 C   0  0  0  0  0
    7.2383    2.5988    3.2804 C   0  0  0  0  0
    6.2438    3.3140    3.2147 O   0  0  0  0  0
    7.5404    1.6240    2.3589 N   0  0  0  0  0
    6.6967    1.3764    1.2034 C   0  0  0  0  0
    6.8985    2.3847    0.0648 C   0  0  0  0  0
    8.2783    2.3117   -0.5413 C   0  0  0  0  0
    8.6262    1.4350   -1.5502 C   0  0  0  0  0
   10.2643    1.5519   -1.9950 S   0  0  0  0  0
   10.5625    2.7990   -0.8494 C   0  0  0  0  0
    9.4034    3.1365   -0.1455 C   0  0  0  0  0
    9.4943    4.1769    0.8201 C   0  0  0  0  0
   10.7077    4.8250    1.0684 C   0  0  0  0  0
   11.8454    4.4412    0.3703 C   0  0  0  0  0
   11.7907    3.4396   -0.6016 C   0  0  0  0  0
   10.9004    5.8218    1.9859 O   0  0  0  0  0
    9.7330    6.5064    2.4282 C   0  0  0  0  0
    8.6251    1.7629    4.6916 H   0  0  0  0  0
    7.8234    3.2511    5.2265 H   0  0  0  0  0
    9.1106    3.3352    3.9934 H   0  0  0  0  0
    8.4768    1.2372    2.3532 H   0  0  0  0  0
    5.6513    1.4060    1.5302 H   0  0  0  0  0
    6.9150    0.3580    0.8642 H   0  0  0  0  0
    6.6954    3.4030    0.4150 H   0  0  0  0  0
    6.1589    2.1787   -0.7197 H   0  0  0  0  0
    7.9898    0.7156   -2.0480 H   0  0  0  0  0
    8.5976    4.4472    1.3663 H   0  0  0  0  0
   12.7920    4.9384    0.5707 H   0  0  0  0  0
   12.6836    3.1615   -1.1538 H   0  0  0  0  0
   10.0565    7.3591    3.0324 H   0  0  0  0  0
    9.1167    5.8638    3.0644 H   0  0  0  0  0
    9.1568    6.8956    1.5821 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
BRN 1379764

>  <PubChem CID>
34247

>  <Formula>
C13H15NO2S

>  <Molecular Weight>
249.328000

>  <IUPAC Name>
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=CSC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CSC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H15NO2S/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)

>  <InChI Key>
AXMIJKLYRBIWJK-UHFFFAOYSA-N

