
 AC1MLIHO

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.0625   -0.6215   -0.6829 C   0  0  0  0  0
    1.4498   -0.0132    0.6697 C   0  0  0  0  0
    1.4156   -1.1050    1.7411 C   0  0  0  0  0
    2.8133    0.7004    0.5612 C   0  0  0  0  0
    3.1628    1.4453    1.8637 C   0  0  0  0  0
    2.6922    2.5473    2.1315 O   0  0  0  0  0
    3.9888    0.7538    2.7275 N   0  0  0  0  0
    4.4274    1.3187    3.9915 C   0  0  0  0  0
    3.4149    1.1729    5.1321 C   0  0  0  0  0
    3.1556   -0.2663    5.5519 C   0  0  0  0  0
    2.6836   -0.0888    6.9739 C   0  0  0  0  0
    3.5654    1.0398    7.4627 C   0  0  0  0  0
    3.9148    1.8293    6.3163 O   0  0  0  0  0
    3.8364   -0.2536    0.2244 O   0  0  0  0  0
    4.7768    0.1743   -0.6723 C   0  0  0  0  0
    4.7558    1.2746   -1.2099 O   0  0  0  0  0
    5.8372   -0.8180   -0.9088 C   0  0  0  0  0
    5.6019   -2.1180   -0.6514 N   0  0  0  0  0
    6.9488   -3.0032   -1.0391 S   0  0  0  0  0
    7.8917   -1.6846   -1.5135 C   0  0  0  0  0
    7.1644   -0.5253   -1.4025 C   0  0  0  0  0
    7.7600    1.0424   -1.7516 Cl  0  0  0  0  0
    9.5124   -1.9095   -2.0203 Cl  0  0  0  0  0
    1.0731    0.1397   -1.4698 H   0  0  0  0  0
    0.0532   -1.0442   -0.6421 H   0  0  0  0  0
    1.7498   -1.4226   -0.9760 H   0  0  0  0  0
    0.6909    0.7348    0.9331 H   0  0  0  0  0
    2.1834   -1.8667    1.5718 H   0  0  0  0  0
    0.4410   -1.6048    1.7508 H   0  0  0  0  0
    1.5656   -0.6794    2.7363 H   0  0  0  0  0
    2.7251    1.4692   -0.2169 H   0  0  0  0  0
    4.2738   -0.1856    2.4751 H   0  0  0  0  0
    4.6536    2.3815    3.8426 H   0  0  0  0  0
    5.3749    0.8361    4.2574 H   0  0  0  0  0
    2.4692    1.6619    4.8670 H   0  0  0  0  0
    4.0835   -0.8506    5.5442 H   0  0  0  0  0
    2.4237   -0.7746    4.9202 H   0  0  0  0  0
    1.6337    0.2266    6.9820 H   0  0  0  0  0
    2.7716   -0.9922    7.5835 H   0  0  0  0  0
    3.0670    1.6684    8.2062 H   0  0  0  0  0
    4.4945    0.6570    7.8976 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 21  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
M  END

>  <Chemical Name>
AC1MLIHO

>  <PubChem CID>
3220371

>  <Formula>
C14H18Cl2N2O4S

>  <Molecular Weight>
381.268000

>  <IUPAC Name>
[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C(C(=O)NCC1CCCO1)OC(=O)C2=NSC(=C2Cl)Cl

>  <Isomeric SMILES>
CC(C)C(C(=O)NCC1CCCO1)OC(=O)C2=NSC(=C2Cl)Cl

>  <InChI Std. ID>
InChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)

>  <InChI Key>
CCZMFGXGYJBMLG-UHFFFAOYSA-N

