32619828
  -OEChem-05072404212D

 35 36  0     0  0  0  0  0  0999 V2000
    6.2633   -1.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1293    2.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -0.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.1545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    0.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    2.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203    3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    3.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -2.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021   -3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681   -3.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9173    0.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0405   -3.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9065   -3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0436   -2.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686    2.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    1.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7518    1.3436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1847    3.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.8947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.2928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  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 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  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 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 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
M  END
> <PUBCHEM_COMPOUND_CID>
32619828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
389

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqnS2AKDCIBlKBkIiBHGTMgOJjrktb+HGajmxBH46caYFwIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-dimethyl-2-[[(3-methyl-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 4,5-dimethyl-2-[(3-methylfuran-2-yl)carbonylamino]thiophene-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-dimethyl-2-[(3-methyl-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15NO4S/c1-7-5-6-19-11(7)12(16)15-13-10(14(17)18-4)8(2)9(3)20-13/h5-6H,1-4H3,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
WAQGXEALQSRKGA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
293.07217913

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
293.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(OC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(OC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
96.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.07217913

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  10  8
1  9  8
13  16  8
16  17  8
17  19  8
2  13  8
2  19  8
7  10  8
7  8  8
8  9  8

$$$$