(5S)-5-tert-butyl-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]azepan-2-one

Systemtic Name: (5S)-5-tert-butyl-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-(4-methoxyphenyl)sulfanyl-ethyl]-5-tert-butyl-azepan-2-one CAS Name: (5S)-5-tert-butyl-1-[(2S)-1-[(4-methoxyphenyl)thio]-3-phenylpropan-2-yl]-2-azepanone IUPAC Name: (5S)-5-tert-butyl-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenylpropan-2-yl]azepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-[(4-methoxyphenyl)thio]ethyl]-5-tert-butyl-azepan-2-one Formula: C26H35NO2S MolecularWeight: 425.6266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35NO2S/c1-26(2,3)21-10-15-25(28)27(17-16-21)22(18-20-8-6-5-7-9-20)19-30-24-13-11-23(29-4)12-14-24/h5-9,11-14,21-22H,10,15-19H2,1-4H3/t21-,22-/m0/s1