70525953
  -OEChem-04242411082D

 19 17  0     1  0  0  0  0  0999 V2000
    0.0000    2.4274    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7341    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5929    4.7382    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896    4.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0929    3.1994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2839    3.7872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5929    4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019    3.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328    3.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1869    3.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6577    5.3548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9864    4.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0929    2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2119    3.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4683    4.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.9557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.4274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70525953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
106

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMABGAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASACALAAggIAACQCAAAAABAABAAAIGIAAACAAAgACAAQAAAEAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
thiazolidine-4-carboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
4-thiazolidinecarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3-thiazolidine-4-carboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
1,3-thiazolidine-4-carboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-thiazolidine-4-carboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
thiazolidine-4-carboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7NO2S.2ClH/c6-4(7)3-1-8-2-5-3;;/h3,5H,1-2H2,(H,6,7);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
BBUUZDTYLYYANB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
204.9731051

> <PUBCHEM_MOLECULAR_FORMULA>
C4H9Cl2NO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
206.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(NCS1)C(=O)O.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(NCS1)C(=O)O.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
74.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.9731051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  10  3

$$$$