Molecule FYI-1008767

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A

Molecule Summary:

ID: FYI-1008767
Names:
InChIKey: UQUXDPDNKFPACW-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)CC(N)=S

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008767 Edit

Molecule Structure InChIKey: UQUXDPDNKFPACW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)OC(=O)CC(N)=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1008767
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008767-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    3.3074   -1.2833    0.3660 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098    0.3260    0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -0.4795   -1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778    1.1999   -0.5483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987    0.0301   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8315   -1.3974    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4788    1.0374    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    0.3941    0.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    0.0167   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    0.1561    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165    0.1332   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0520   -2.1102   -0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027   -1.5371    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7498   -1.6543   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6981    1.0047    1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4039    0.8491   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.0554   -0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0238   -0.1759    1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190    1.4615    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    2.0712   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8826    1.1339   -1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1656👍, 0💬