S-(phenylmethyl) (E,2S)-2,4-dimethylhept-4-enethioate

Systemtic Name: S-(phenylmethyl) (E,2S)-2,4-dimethylhept-4-enethioate Openeye Name: S-benzyl (E,2S)-2,4-dimethylhept-4-enethioate CAS Name: (E,2S)-2,4-dimethyl-4-heptenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (E,2S)-2,4-dimethylhept-4-enethioate Traditional Name: (E,2S)-2,4-dimethylhept-4-enethioic acid S-benzyl ester Formula: C16H22OS MolecularWeight: 262.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)CC(C)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC/C=C(\C)/C[C@H](C)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C16H22OS/c1-4-8-13(2)11-14(3)16(17)18-12-15-9-6-5-7-10-15/h5-10,14H,4,11-12H2,1-3H3/b13-8+/t14-/m0/s1