8069390
  -OEChem-05042420512D

 37 39  0     0  0  0  0  0  0999 V2000
    3.6180    2.8357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010   -3.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712   -3.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -3.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -3.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -1.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -4.3721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7428   -1.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9094   -0.7103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2823   -0.0975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695   -0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -3.2152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721   -4.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -4.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -0.1444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630   -0.8347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    4.2883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    4.2883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  2  0  0  0  0
  5 20  2  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7 21  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8069390

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OABAAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAACBwAAAHgQQAAAADATl2ga/n5LIFAisAjH3fAIC+KlxKjlJyAxeKMiOJyKEOR6DOiCt0RcYqSeA4PwOQAABCAAIAACAAAIQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4,7-dimethyl-2-oxo-chromen-5-yl)oxy-N-thiazol-2-yl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-N-(2-thiazolyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-<I>N</I>-(1,3-thiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(1,3-thiazol-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxy-N-(1,3-thiazol-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-keto-4,7-dimethyl-chromen-5-yl)oxy-N-thiazol-2-yl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O4S/c1-9-5-11(15-10(2)7-14(20)22-12(15)6-9)21-8-13(19)18-16-17-3-4-23-16/h3-7H,8H2,1-2H3,(H,17,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
QVUFPJPXVWBRIA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
330.06742811

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
330.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC3=NC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC3=NC=CS3

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.06742811

> <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  21  8
1  22  8
10  13  8
11  15  8
12  13  8
12  14  8
15  18  8
2  18  8
2  9  8
22  23  8
7  21  8
7  23  8
8  10  8
8  11  8
8  9  8
9  14  8

$$$$