43408258
  -OEChem-04262423022D

 38 39  0     0  0  0  0  0  0999 V2000
    7.0064   -0.9765    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    2.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    0.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.6113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852   -2.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785   -3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2544    2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7992   -3.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159   -2.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -2.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6605    0.9213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3121   -3.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263   -4.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4449   -3.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1990    4.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    2.9797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    2.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    1.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9279    4.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -0.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43408258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqnS2AKDCIBlKBlIiBnGTMgOJjrktb+HGajmxBH46ceYXwIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 5-ethyl-2-[(3-methylfuran-2-yl)carbonylamino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-ethyl-2-[(3-methyl-2-furoyl)amino]thiophene-3-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17NO4S/c1-4-10-8-11(15(18)19-5-2)14(21-10)16-13(17)12-9(3)6-7-20-12/h6-8H,4-5H2,1-3H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
LQCLAVCXUHWTDP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
307.08782920

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
307.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC(=C(S1)NC(=O)C2=C(C=CO2)C)C(=O)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC(=C(S1)NC(=O)C2=C(C=CO2)C)C(=O)OCC

> <PUBCHEM_CACTVS_TPSA>
96.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.08782920

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  7  8
1  9  8
12  16  8
16  17  8
17  19  8
2  12  8
2  19  8
7  11  8
8  11  8
8  9  8

$$$$