null
  CDK     0225161858
null
 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -5.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944   -4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -2.7050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -1.8980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956   -0.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7933   -0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -1.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4502   -2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787   -3.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  6  1  0  0  0  0 
 10 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  7 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 19  1  0  0  0  0 
 25 26  2  0  0  0  0 
M  END
> <ID>
CHEBI:112441

> <NAME>
5-[2-(2,6-dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester

> <STAR>
2

> <FORMULA>
C17H20N2O6S

> <MASS>
380.417

> <MONOISOTOPIC_MASS>
380.10421

> <CHARGE>
0

> <SMILES>
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C2C(=O)CCCC2=O

> <INCHI>
InChI=1S/C17H20N2O6S/c1-4-24-16(22)12-9(3)14(17(23)25-5-2)26-15(12)19-18-13-10(20)7-6-8-11(13)21/h19H,4-8H2,1-3H3

> <INCHIKEY>
LGSVJSPEAHMKHC-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-23853

$$$$