2-phenylsulfanyl-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[[(2R)-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide CAS Name: 2-(phenylthio)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide Traditional Name: 2-(phenylthio)-N-[[(2R)-7-(4-pyridyl)coumaran-2-yl]methyl]acetamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C21)C3=CC=NC=C3)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=C(C=CC=C21)C3=CC=NC=C3)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c25-21(15-27-19-6-2-1-3-7-19)24-14-18-13-17-5-4-8-20(22(17)26-18)16-9-11-23-12-10-16/h1-12,18H,13-15H2,(H,24,25)/t18-/m1/s1