2295461
  -OEChem-05102407582D

 30 32  0     0  0  0  0  0  0999 V2000
    4.4809   -0.6904    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1565   -1.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   -1.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8301   -1.4285    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8120   -2.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687    0.1186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    2.8297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9165   -1.8352    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687    0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7899    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5687   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5687   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1565    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1075   -1.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1075   -0.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.5333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.2961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    1.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    1.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -0.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346   -1.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3787    0.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649    0.6512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6091    0.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  3  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
2295461

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAAaJEAAAAAAAAAAASAAAB4AAAHgQUAAAADASB2AAwhYLQREidBqFSUwKjCIBtKhkoiBHGbMoOpjLktL+PGSjkxBH46Y+8l0IOgAAAAAAAAAAAAAAAAAAAAAAAAgAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitro-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-cyano-5,6-dihydro-4<I>H</I>-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitro-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9N3O4S/c14-6-8-7-2-1-3-10(7)21-13(8)15-12(17)9-4-5-11(20-9)16(18)19/h4-5H,1-3H2,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
CBSZVPKUGQCGOE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
303.03137695

> <PUBCHEM_MOLECULAR_FORMULA>
C13H9N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
303.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.03137695

> <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  13  8
1  15  8
12  13  8
12  14  8
14  15  8
18  19  8
19  21  8
2  18  8
2  20  8
20  21  8

$$$$