Molecule Editor

Molecule ID: FYI-1016223 Edit

Molecule Structure InChIKey: MLGMNVSTCSILMV-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCCSC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016223
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016223-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
   -2.8145   -0.4981   -0.7205 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460    0.2116    0.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303    1.6977   -0.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081    1.2786    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2978    0.7416    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.5667   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048   -0.6404    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -1.9837    0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4254   -0.9078   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136   -0.4661   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    2.0156    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    1.7692   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201    1.5635    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942    0.2582    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.9790    1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8677   -2.2564   -0.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   -2.7715    0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648   -0.0218    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3071   -1.3133    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9110   -1.6637   -0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001   -1.3067   -0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9445    0.5043   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$