43404016
  -OEChem-04262423042D

 38 39  0     0  0  0  0  0  0999 V2000
    7.0064   -1.3810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    2.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -0.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852   -3.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785   -4.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2544    2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1512    4.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7992   -3.4878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159   -2.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -2.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6605    0.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3121   -3.8025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263   -4.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4449   -4.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1990    3.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -1.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6528    3.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    4.5562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496    4.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.5620    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 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  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 13  1  0  0  0  0
 10 12  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 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  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>
43404016

> <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>
AAADceByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqHSWAKDCIBlKBlIiBnGTMgOJjrktb+HGajmxBH46ceYXwJsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-ethyl-2-[(5-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)12-7-6-9(3)20-12/h6-8H,4-5H2,1-3H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
FYGSFLIDKKMCLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <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=CC=C(O2)C)C(=O)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC(=C(S1)NC(=O)C2=CC=C(O2)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
15  16  8
16  18  8
17  18  8
2  15  8
2  17  8
7  11  8
8  11  8
8  9  8

$$$$