N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[(2S)-5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[(2S)-5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-28-20-5-2-16(3-6-20)17-4-7-22-18(12-17)13-19(27-22)14-25-23(26)15-29-21-8-10-24-11-9-21/h2-12,19H,13-15H2,1H3,(H,25,26)/t19-/m0/s1