
 ASN 07460871

 49 51  0  0  0  0  0  0  0  0999 V2000
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    3.2123    1.7211    1.8334 N   0  0  0  0  0
    3.2060    2.3122    3.1610 C   0  0  0  0  0
    4.1009    1.5929    4.1727 C   0  0  0  0  0
    3.7343    0.1535    4.4921 C   0  0  0  0  0
    5.0473   -0.3760    5.0123 C   0  0  0  0  0
    6.0438    0.3087    4.0990 C   0  0  0  0  0
    5.4691    1.5676    3.7158 O   0  0  0  0  0
    3.4250   -0.6331   -0.0921 O   0  0  0  0  0
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    8.8361   -3.4607   -1.5338 S   0  0  0  0  0
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    6.4555   -5.5291    0.2968 H   0  0  0  0  0
    8.8593   -5.7663   -0.7595 H   0  0  0  0  0
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M  END

>  <Chemical Name>
ASN 07460871

>  <PubChem CID>
653323

>  <Formula>
C18H24N2O4S

>  <Molecular Weight>
364.460000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C(C(=O)NCC1CCCO1)OC(=O)C2=CC3=C(N2C)C=CS3

>  <Isomeric SMILES>
CC(C)C(C(=O)NCC1CCCO1)OC(=O)C2=CC3=C(N2C)C=CS3

>  <InChI Std. ID>
InChI=1S/C18H24N2O4S/c1-11(2)16(17(21)19-10-12-5-4-7-23-12)24-18(22)14-9-15-13(20(14)3)6-8-25-15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3,(H,19,21)

>  <InChI Key>
ABXDMCJXFUNBAS-UHFFFAOYSA-N

