60793679
  -OEChem-04232409222D

 32 33  0     0  0  0  0  0  0999 V2000
    7.0064   -1.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    2.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -0.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    0.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.1545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852   -3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2544    2.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634    3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -2.8859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6605    0.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836   -3.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496   -3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868   -2.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.6928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1990    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9279    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  2  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 20  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60793679

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
350

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqnS2AKDCIBlKBlIiBnGTMgOJjrktb+HGajmxBH46caYFwIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-(furan-2-carbonylamino)-5-methyl-thiophene-3-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-(furan-2-ylcarbonylamino)-5-methyl-thiophene-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-furoylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13NO4S/c1-3-17-13(16)9-7-8(2)19-12(9)14-11(15)10-5-4-6-18-10/h4-7H,3H2,1-2H3,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
MTLDQNCKKKSIMJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
279.05652907

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
279.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC=CO2

> <PUBCHEM_CACTVS_TPSA>
96.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.05652907

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1  8  8
1  9  8
14  16  8
16  18  8
18  19  8
3  14  8
3  19  8
7  10  8
7  8  8
9  10  8

$$$$