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

Systemtic Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(phenylthio)propyl]azepan-2-one Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NOS/c1-14-8-9-17(19)18(11-10-14)12-15(2)13-20-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/t14-,15-/m1/s1