(phenylmethyl) (E,2S)-2-ethanoylsulfanyl-2-methyl-hept-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-ethanoylsulfanyl-2-methyl-hept-3-enoate Openeye Name: benzyl (E,2S)-2-acetylsulfanyl-2-methyl-hept-3-enoate CAS Name: (E,2S)-2-(acetylthio)-2-methyl-3-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-acetylsulfanyl-2-methylhept-3-enoate Traditional Name: (E,2S)-2-(acetylthio)-2-methyl-hept-3-enoic acid benzyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(C)(C(=O)OCC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CCC/C=C/[C@@](C)(C(=O)OCC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C17H22O3S/c1-4-5-9-12-17(3,21-14(2)18)16(19)20-13-15-10-7-6-8-11-15/h6-12H,4-5,13H2,1-3H3/b12-9+/t17-/m0/s1