N-[[(2R)-5-fluoranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-benzamide Openeye Name: N-[[(2R)-5-fluoro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-benzamide CAS Name: N-[[(2R)-5-fluoro-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)benzamide IUPAC Name: N-[[(2R)-5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylbenzamide Traditional Name: N-[[(2R)-5-fluoro-7-pyrazin-2-yl-coumaran-2-yl]methyl]-2-(methylthio)benzamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=NC=CN=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)F)C4=NC=CN=C4

InChI

InChI=1S/C21H18FN3O2S/c1-28-19-5-3-2-4-16(19)21(26)25-11-15-9-13-8-14(22)10-17(20(13)27-15)18-12-23-6-7-24-18/h2-8,10,12,15H,9,11H2,1H3,(H,25,26)/t15-/m1/s1