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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)SC)C(=O)NCC3CCCN3CC4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(O1)C(=CC(=C2)SC)C(=O)NCC3CCCN3CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O2S/c1-16-11-18-12-20(28-2)13-21(22(18)27-16)23(26)24-14-19-9-6-10-25(19)15-17-7-4-3-5-8-17/h3-5,7-8,12-13,16,19H,6,9-11,14-15H2,1-2H3,(H,24,26)