N-[[(2R)-5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[(2R)-5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[[(2R)-5-fluoro-7-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[[(2R)-5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[(2R)-5-fluoro-7-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-4-(2-thienyl)butyramide Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC(=CC3=C2OC(C3)CNC(=O)CCCC4=CC=CS4)F

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)CCCC4=CC=CS4)F

InChI

InChI=1S/C22H22FN3O2S2/c1-29-22-24-8-7-19(26-22)18-12-15(23)10-14-11-16(28-21(14)18)13-25-20(27)6-2-4-17-5-3-9-30-17/h3,5,7-10,12,16H,2,4,6,11,13H2,1H3,(H,25,27)/t16-/m1/s1