(5R)-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]-5-oxidanyl-azepan-2-one

Systemtic Name: (5R)-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]-5-oxidanyl-azepan-2-one Openeye Name: (5R)-5-hydroxy-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-hydroxy-1-[(2R)-2-methyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-hydroxy-1-[(2R)-2-methyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-hydroxy-1-[(2R)-2-methyl-3-(phenylthio)propyl]azepan-2-one Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CCC1=O)O)CSC2=CC=CC=C2

Isomeric SMILES

C[C@H](CN1CC[C@@H](CCC1=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2S/c1-13(12-20-15-5-3-2-4-6-15)11-17-10-9-14(18)7-8-16(17)19/h2-6,13-14,18H,7-12H2,1H3/t13-,14-/m1/s1