52659207
  -OEChem-05072415402D

 29 30  0     0  0  0  0  0  0999 V2000
    6.2633   -1.8378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1293    1.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -0.5506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203    2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9173    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    1.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7518    0.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1847    3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187   -3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52659207

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASl2AKyjYLABEiMAqnS2AKDCIBlKBlIiBnGTMgOJjrktb+HGajmxBH46caYFwIKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11NO4S/c1-7-3-5-17-9(7)10(14)13-11-8(4-6-18-11)12(15)16-2/h3-6H,1-2H3,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
VTNNUMGDGJKKMW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
265.04087901

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
265.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(OC=C1)C(=O)NC2=C(C=CS2)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(OC=C1)C(=O)NC2=C(C=CS2)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
96.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.04087901

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  16  8
1  9  8
10  13  8
12  15  8
13  16  8
2  15  8
2  7  8
7  8  8
8  12  8
9  10  8

$$$$