(5R)-5-tert-butyl-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]azepan-2-one

Systemtic Name: (5R)-5-tert-butyl-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]azepan-2-one Openeye Name: (5R)-5-tert-butyl-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]azepan-2-one CAS Name: (5R)-5-tert-butyl-1-[(2R)-3-[(4-methoxyphenyl)thio]-2-methylpropyl]-2-azepanone IUPAC Name: (5R)-5-tert-butyl-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methylpropyl]azepan-2-one Traditional Name: (5R)-5-tert-butyl-1-[(2R)-3-[(4-methoxyphenyl)thio]-2-methyl-propyl]azepan-2-one Formula: C21H33NO2S MolecularWeight: 363.55722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO2S/c1-16(15-25-19-9-7-18(24-5)8-10-19)14-22-13-12-17(21(2,3)4)6-11-20(22)23/h7-10,16-17H,6,11-15H2,1-5H3/t16-,17-/m1/s1