
 CHEMBL334923

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.8784    3.7657    0.8441 C   0  0  0  0  0
    1.3933    2.3715    0.8339 C   0  0  0  0  0
    0.8763    1.3063    1.5724 C   0  0  0  0  0
    1.7247   -0.1945    1.3266 S   0  0  0  0  0
    2.7628    0.5559    0.2606 C   0  0  0  0  0
    2.4822    1.8887    0.0921 C   0  0  0  0  0
    3.4240    2.3692   -0.8198 N   0  0  0  0  0
    3.7467    3.5277   -1.4400 C   0  0  0  0  0
    4.8337    3.2405   -2.2544 C   0  0  0  0  0
    5.1644    1.8550   -2.1011 C   0  0  0  0  0
    4.2657    1.3468   -1.1985 C   0  0  0  0  0
    3.8963    0.1111   -0.5244 C   0  0  0  0  0
    4.3845   -1.0808   -0.5731 N   0  0  0  0  0
    5.5062   -1.1363   -1.4178 O   0  0  0  0  0
    5.8612   -2.5076   -1.6325 C   0  0  0  0  0
    5.1456   -3.0152   -2.8912 C   0  0  0  0  0
    5.4932   -4.3951   -3.2907 N   0  0  0  0  0
    5.0226   -5.3718   -2.3048 C   0  0  0  0  0
    4.8998   -4.6913   -4.5985 C   0  0  0  0  0
    1.6294    4.4452    1.2592 H   0  0  0  0  0
   -0.0293    3.8515    1.4500 H   0  0  0  0  0
    0.6377    4.0925   -0.1723 H   0  0  0  0  0
    0.0363    1.3184    2.2545 H   0  0  0  0  0
    3.2001    4.4447   -1.2706 H   0  0  0  0  0
    5.3404    3.9505   -2.8961 H   0  0  0  0  0
    5.9588    1.3124   -2.5970 H   0  0  0  0  0
    5.6216   -3.1025   -0.7442 H   0  0  0  0  0
    6.9460   -2.5443   -1.7749 H   0  0  0  0  0
    5.4158   -2.3298   -3.7066 H   0  0  0  0  0
    4.0595   -2.9060   -2.7665 H   0  0  0  0  0
    5.5521   -5.2575   -1.3544 H   0  0  0  0  0
    5.2308   -6.3925   -2.6446 H   0  0  0  0  0
    3.9465   -5.2861   -2.1188 H   0  0  0  0  0
    5.2833   -4.0032   -5.3600 H   0  0  0  0  0
    3.8067   -4.6159   -4.5832 H   0  0  0  0  0
    5.1719   -5.7006   -4.9258 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 12 11  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL334923

>  <PubChem CID>
19956256

>  <Formula>
C14H17N3OS

>  <Molecular Weight>
275.370000

>  <IUPAC Name>
N,N-dimethyl-2-[(Z)-(3-methylthieno[2,3-b]pyrrolizin-8-ylidene)amino]oxyethanamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CSC2=C1N3C=CC=C3C2=NOCCN(C)C

>  <Isomeric SMILES>
CC1=CSC\2=C1N3C=CC=C3/C2=N/OCCN(C)C

>  <InChI Std. ID>
InChI=1S/C14H17N3OS/c1-10-9-19-14-12(15-18-8-7-16(2)3)11-5-4-6-17(11)13(10)14/h4-6,9H,7-8H2,1-3H3/b15-12-

>  <InChI Key>
BOHGZALGHLQJNA-QINSGFPZSA-N

