N-[[(2R)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(2R)-5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[(2R)-5-(2-acetylphenyl)coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)O[C@H](C3)CNC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C24H22N2O3S/c1-15(27)19-6-3-4-7-20(19)16-9-10-22-17(12-16)13-18(29-22)14-26-23(28)21-8-5-11-25-24(21)30-2/h3-12,18H,13-14H2,1-2H3,(H,26,28)/t18-/m1/s1