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

Systemtic Name: N-[[(2R)-7-fluoranyl-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[[(2R)-7-fluoro-5-(3-quinolyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[(2R)-7-fluoro-5-(3-quinolinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-[[(2R)-7-fluoro-5-(3-quinolyl)coumaran-2-yl]methyl]-2-(methylthio)acetamide Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CC4=CC=CC=C4N=C3)F

Isomeric SMILES

CSCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CC4=CC=CC=C4N=C3)F

InChI

InChI=1S/C21H19FN2O2S/c1-27-12-20(25)24-11-17-8-15-7-14(9-18(22)21(15)26-17)16-6-13-4-2-3-5-19(13)23-10-16/h2-7,9-10,17H,8,11-12H2,1H3,(H,24,25)/t17-/m1/s1