(3S)-3-(2,3,5,6-tetramethylphenyl)sulfanylazepan-2-one

Systemtic Name: (3S)-3-(2,3,5,6-tetramethylphenyl)sulfanylazepan-2-one Openeye Name: (3S)-3-(2,3,5,6-tetramethylphenyl)sulfanylazepan-2-one CAS Name: (3S)-3-[(2,3,5,6-tetramethylphenyl)thio]-2-azepanone IUPAC Name: (3S)-3-(2,3,5,6-tetramethylphenyl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(2,3,5,6-tetramethylphenyl)thio]azepan-2-one Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SC2CCCCNC2=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S[C@H]2CCCCNC2=O)C)C

InChI

InChI=1S/C16H23NOS/c1-10-9-11(2)13(4)15(12(10)3)19-14-7-5-6-8-17-16(14)18/h9,14H,5-8H2,1-4H3,(H,17,18)/t14-/m0/s1