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

Systemtic Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(4-methylphenyl)sulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(p-tolylsulfanyl)propyl]azepan-2-one CAS Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-[(4-methylphenyl)thio]propyl]-2-azepanone IUPAC Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(4-methylphenyl)sulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-tert-butyl-1-[(2R)-2-methyl-3-(p-tolylthio)propyl]azepan-2-one Formula: C21H33NOS MolecularWeight: 347.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C)CN2CCC(CCC2=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C)CN2CC[C@@H](CCC2=O)C(C)(C)C

InChI

InChI=1S/C21H33NOS/c1-16-6-9-19(10-7-16)24-15-17(2)14-22-13-12-18(21(3,4)5)8-11-20(22)23/h6-7,9-10,17-18H,8,11-15H2,1-5H3/t17-,18-/m1/s1