Ketcher 08271516212D 1   1.00000     0.00000     0

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  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
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 18 24  1  0     0  0
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M  END
> <ID>
CHEBI:87723

> <NAME>
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

> <DEFINITION>
A member of the class of thienopyridines that is 2-acetoxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the amino hydrogen is replaced by a 2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl group.

> <STAR>
3

> <IUPAC_NAME>
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

> <FORMULA>
C20H20FNO3S

> <MASS>
373.443

> <MONOISOTOPIC_MASS>
373.11479

> <CHARGE>
0

> <SMILES>
N1(CCC2=C(C1)C=C(S2)OC(C)=O)C(C3=C(C=CC=C3)F)C(=O)C4CC4

> <INCHI>
InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3

> <INCHIKEY>
DTGLZDAWLRGWQN-UHFFFAOYSA-N

$$$$