650772
  -OEChem-05052423422D

 40 42  0     0  0  0  0  0  0999 V2000
    3.6942   -0.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003    2.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680   -3.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2797    1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -2.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    0.4548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -1.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    3.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9770   -2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093    3.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6461   -2.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958    3.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1461   -3.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6112    1.6282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7452    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6080    0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    3.1082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1059   -1.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -0.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8382    4.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627   -2.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589    3.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3983   -4.3529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    0.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4 18  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 20 23  1  0  0  0  0
 20 31  1  0  0  0  0
 21 26  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
650772

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
672

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAASJEAAAAAAAAAAAAAAAB4AAAHgAAAAAACAyhkAIzDIMABECIAK3S2AKCCAAkIAAIiAHGDMiOJjKEtT+HGSjsxTOYqcaYFwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxo-imidazole-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
1,3-bis[2-furanyl(oxo)methyl]-5-methyl-2-oxo-4-imidazolecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 1,3-bis(furan-2-ylcarbonyl)-5-methyl-2-oxidanylidene-imidazole-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3-bis(2-furoyl)-2-keto-5-methyl-4-imidazoline-4-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HAPFPNSMGAADOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
358.08010079

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N2O7

> <PUBCHEM_MOLECULAR_WEIGHT>
358.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=C(N(C(=O)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=C(N(C(=O)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3)C

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.08010079

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
17  19  8
18  20  8
19  22  8
20  23  8
22  24  8
23  25  8
3  17  8
3  24  8
4  18  8
4  25  8
8  10  8
8  12  8
9  11  8
9  12  8

$$$$