N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[(2R)-7-(3,6-dimethyl-2-pyrazinyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-coumaran-2-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC4=CC=NC=C4)F)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)CSC4=CC=NC=C4)F)C

InChI

InChI=1S/C22H21FN4O2S/c1-13-10-25-14(2)21(27-13)19-9-16(23)7-15-8-17(29-22(15)19)11-26-20(28)12-30-18-3-5-24-6-4-18/h3-7,9-10,17H,8,11-12H2,1-2H3,(H,26,28)/t17-/m1/s1