Molecule FYI-1006422

A

Molecule Summary:

ID: FYI-1006422
Names:
InChIKey: NQCADETYAPFQNU-JJFYIABZSA-N
SMILES: CCOC(=O)c3c(/N=C\\c1cc(OC)c(OC)c(OC)c1)sc2CC(=O)CCc23

Received at FYIcenter.com on: 2023-12-15

Molecule ID: FYI-1006422 Edit

Molecule Structure InChIKey: NQCADETYAPFQNU-JJFYIABZSA-N

Molecule Structure SMILES String: CCOC(=O)c3c(/N=C\c1cc(OC)c(OC)c(OC)c1)sc2CC(=O)CCc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006422
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2156    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0031    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5052    2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420    3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0093    5.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 29 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006422-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
    0.9911    0.9878   -2.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.4480   -2.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455   -0.6966   -2.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218   -1.2376   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4291   -0.8947   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -2.3304   -1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5162   -2.8691   -1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3052   -2.6533   -0.1662 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -1.5584    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7491   -0.1928   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7490    0.7876    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247    2.0184    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    2.7600    1.5687 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    4.0769    1.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7227    1.3403   -1.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2838    1.3915   -3.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    2.6315   -3.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    0.1234   -1.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099   -4.3400   -2.0434 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1549   -3.0106   -3.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 29  1  0  0  0  0
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  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-10, 2014👍, 0💬