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

Systemtic Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(phenylthio)propyl]azepan-2-one Formula: C20H31NOS MolecularWeight: 333.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NOS/c1-16(15-23-18-8-6-5-7-9-18)14-21-13-12-17(20(2,3)4)10-11-19(21)22/h5-9,16-17H,10-15H2,1-4H3/t16-,17-/m1/s1