Molecule Editor

Molecule ID: FYI-1015623 Edit

Molecule Structure InChIKey: WNQWXZJXZOJMJX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1c(C)c(C)sc1N/C=C/2C(=O)CC(C)(C)CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015623
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.8220    3.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905    4.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502    3.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187    3.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277    5.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0783    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    1.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0728    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7162    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625    4.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2319    4.3548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9319    5.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3242    5.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    6.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2862    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5037    6.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913    6.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913   10.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913    8.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5037    8.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 14 13  2  0  0  0  0
 14  1  1  0  0  0  0
 15 14  1  0  0  0  0
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 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015623-3D
FYIcenter.com

 47 48  0     0  0  0  0  0  0999 V2000
    1.5614   -2.6275    0.0714 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -2.5623    0.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488    1.7546    0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    1.7034    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    1.8844   -0.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -0.3886    0.0528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9418    0.6817   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8546   -0.6694    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    1.6176    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707    0.4855   -1.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3003    1.3310    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020   -1.3400    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331    1.0253    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3106   -0.4581    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940   -1.0152    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840   -0.9515   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$