3-methylsulfanyl-N-[[(2R)-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[[(2R)-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide Openeye Name: 3-methylsulfanyl-N-[[(2R)-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide CAS Name: 3-(methylthio)-N-[[(2R)-7-(3-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[[(2R)-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide Traditional Name: 3-(methylthio)-N-[[(2R)-7-(3-pyridyl)coumaran-2-yl]methyl]propionamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1CC2=CC=CC(=C2O1)C3=CN=CC=C3

Isomeric SMILES

CSCCC(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=CN=CC=C3

InChI

InChI=1S/C18H20N2O2S/c1-23-9-7-17(21)20-12-15-10-13-4-2-6-16(18(13)22-15)14-5-3-8-19-11-14/h2-6,8,11,15H,7,9-10,12H2,1H3,(H,20,21)/t15-/m1/s1