(5S)-5-tert-butyl-1-[2-(4-methoxyphenyl)sulfanylethyl]azepan-2-one

Systemtic Name: (5S)-5-tert-butyl-1-[2-(4-methoxyphenyl)sulfanylethyl]azepan-2-one Openeye Name: (5S)-5-tert-butyl-1-[2-(4-methoxyphenyl)sulfanylethyl]azepan-2-one CAS Name: (5S)-5-tert-butyl-1-[2-[(4-methoxyphenyl)thio]ethyl]-2-azepanone IUPAC Name: (5S)-5-tert-butyl-1-[2-(4-methoxyphenyl)sulfanylethyl]azepan-2-one Traditional Name: (5S)-5-tert-butyl-1-[2-[(4-methoxyphenyl)thio]ethyl]azepan-2-one Formula: C19H29NO2S MolecularWeight: 335.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CCSC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)N(CC1)CCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H29NO2S/c1-19(2,3)15-5-10-18(21)20(12-11-15)13-14-23-17-8-6-16(22-4)7-9-17/h6-9,15H,5,10-14H2,1-4H3/t15-/m0/s1