18830724
  -OEChem-05142408232D

 42 43  0     0  0  0  0  0  0999 V2000
    6.2633   -3.1558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1293    0.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    3.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863   -1.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -1.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -1.5680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -2.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4081    2.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    4.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824    4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -4.5515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021   -5.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681   -5.2803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9173   -1.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0405   -5.2803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9065   -5.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0436   -4.5515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8388    1.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9221    2.6265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    0.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    1.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0198    3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1031    4.3491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7488    5.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    5.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6160    4.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -3.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  2  0  0  0  0
  6 17  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 11 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18830724

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
433

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqHSWAKDCIBlKBkIiBHGTMgPJjrktb+HGajmxBH66ceYfw5ugAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 2-[[5-(ethoxymethyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 2-[[5-(ethoxymethyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H19NO5S/c1-5-21-8-11-6-7-12(22-11)14(18)17-15-13(16(19)20-4)9(2)10(3)23-15/h6-7H,5,8H2,1-4H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
BTHJIUSZCDPXLM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
337.09839388

> <PUBCHEM_MOLECULAR_FORMULA>
C16H19NO5S

> <PUBCHEM_MOLECULAR_WEIGHT>
337.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOCC1=CC=C(O1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOCC1=CC=C(O1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.09839388

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  11  8
14  19  8
16  20  8
19  20  8
2  14  8
2  16  8
8  11  8
8  9  8
9  10  8

$$$$