53015574
  -OEChem-05052413172D

 38 40  0     0  0  0  0  0  0999 V2000
    8.8067    1.6186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769   -0.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.0839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -0.4508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   -1.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -0.7538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -2.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -1.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -1.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -2.2082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    1.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    0.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9219    1.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1752   -1.4435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7880   -2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4151   -1.4579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53015574

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
395

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAACxAAAAHgQQAAAADCjF2ASywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLglZGEIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-cyclopentyl-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopentyl-4-methyl-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclopentyl-3-keto-4-methyl-1,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18N2O2S/c1-17-12-8-10(6-7-13(12)20-9-14(17)18)15(19)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,19)

> <PUBCHEM_IUPAC_INCHIKEY>
UWCDFILBRLMIHO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
290.10889899

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
290.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=O)CSC2=C1C=C(C=C2)C(=O)NC3CCCC3

> <PUBCHEM_CACTVS_TPSA>
74.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.10889899

> <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>
12  14  8
12  16  8
13  14  8
13  15  8
15  17  8
16  17  8

$$$$