
 ethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylate

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.1699   -0.2330   -2.5308 C   0  0  0  0  0
    4.2028   -0.3223   -1.4229 C   0  0  0  0  0
    4.8253    0.9509   -1.1981 O   0  0  0  0  0
    4.1438    1.8035   -0.3794 C   0  0  0  0  0
    3.0335    1.5582    0.0856 O   0  0  0  0  0
    4.8584    3.0537   -0.1166 C   0  0  0  0  0
    4.1580    4.2373    0.0872 C   0  0  0  0  0
    5.1849    5.5661    0.3762 S   0  0  0  0  0
    6.5747    4.5929    0.2724 C   0  0  0  0  0
    6.2966    3.2677   -0.0133 C   0  0  0  0  0
    7.4028    2.3016   -0.0913 C   0  0  0  0  0
    8.6165    2.6543   -0.7092 C   0  0  0  0  0
    9.7068    1.7667   -0.7420 C   0  0  0  0  0
    9.5558    0.4885   -0.1887 C   0  0  0  0  0
    8.3564    0.1224    0.4194 C   0  0  0  0  0
    7.2971    1.0313    0.4876 C   0  0  0  0  0
   11.0287    2.1771   -1.3429 C   0  0  0  0  0
   12.0624    2.0339   -0.4664 F   0  0  0  0  0
   11.3606    1.4368   -2.4357 F   0  0  0  0  0
   11.0647    3.4782   -1.7457 F   0  0  0  0  0
    2.8180    4.4244    0.0667 N   0  0  0  0  0
    2.7304   -1.2152   -2.7282 H   0  0  0  0  0
    3.6261    0.1423   -3.4522 H   0  0  0  0  0
    2.3645    0.4601   -2.2685 H   0  0  0  0  0
    4.9959   -1.0179   -1.7159 H   0  0  0  0  0
    3.7641   -0.7130   -0.4970 H   0  0  0  0  0
    7.5400    5.0541    0.4397 H   0  0  0  0  0
    8.7290    3.6378   -1.1646 H   0  0  0  0  0
   10.3809   -0.2221   -0.2183 H   0  0  0  0  0
    8.2490   -0.8683    0.8551 H   0  0  0  0  0
    6.3906    0.7275    1.0055 H   0  0  0  0  0
    2.4384    5.2794    0.4624 H   0  0  0  0  0
    2.2077    3.6140    0.1871 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 17 20  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 21 32  1  0  0  0
 21 33  1  0  0  0
M  END

>  <Chemical Name>
ethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylate

>  <PubChem CID>
28104938

>  <Formula>
C14H12F3NO2S

>  <Molecular Weight>
315.310000

>  <IUPAC Name>
ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)C(F)(F)F)N

>  <Isomeric SMILES>
CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)C(F)(F)F)N

>  <InChI Std. ID>
InChI=1S/C14H12F3NO2S/c1-2-20-13(19)11-10(7-21-12(11)18)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3

>  <InChI Key>
AFZMELADLMEJDJ-UHFFFAOYSA-N

