5-methylsulfanyl-N-[[(2R)-1-phenethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 5-methylsulfanyl-N-[[(2R)-1-phenethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 5-methylsulfanyl-N-[[(2R)-1-phenethylpyrrolidin-2-yl]methyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 5-(methylthio)-N-[[(2R)-1-phenethyl-2-pyrrolidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 5-methylsulfanyl-N-[[(2R)-1-phenethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 5-(methylthio)-N-[[(2R)-1-phenethylpyrrolidin-2-yl]methyl]coumaran-7-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C(=C1)C(=O)NCC3CCCN3CCC4=CC=CC=C4)OCC2

Isomeric SMILES

CSC1=CC2=C(C(=C1)C(=O)NC[C@H]3CCCN3CCC4=CC=CC=C4)OCC2

InChI

InChI=1S/C23H28N2O2S/c1-28-20-14-18-10-13-27-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m1/s1