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

Systemtic Name: (5R)-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]-5-methyl-azepan-2-one Openeye Name: (5R)-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]-5-methyl-azepan-2-one CAS Name: (5R)-1-[(2R)-3-[(4-methoxyphenyl)thio]-2-methylpropyl]-5-methyl-2-azepanone IUPAC Name: (5R)-1-[(2R)-3-(4-methoxyphenyl)sulfanyl-2-methylpropyl]-5-methylazepan-2-one Traditional Name: (5R)-1-[(2R)-3-[(4-methoxyphenyl)thio]-2-methyl-propyl]-5-methyl-azepan-2-one Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CC(C)CSC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H]1CCC(=O)N(CC1)C[C@@H](C)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27NO2S/c1-14-4-9-18(20)19(11-10-14)12-15(2)13-22-17-7-5-16(21-3)6-8-17/h5-8,14-15H,4,9-13H2,1-3H3/t14-,15-/m1/s1