(phenylmethyl) (E,2S)-2-methyl-2-propanoylsulfanyl-oct-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-methyl-2-propanoylsulfanyl-oct-3-enoate Openeye Name: benzyl (E,2S)-2-methyl-2-propanoylsulfanyl-oct-3-enoate CAS Name: (E,2S)-2-methyl-2-(1-oxopropylthio)-3-octenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-methyl-2-propanoylsulfanyloct-3-enoate Traditional Name: (E,2S)-2-methyl-2-(propionylthio)oct-3-enoic acid benzyl ester Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O3S/c1-4-6-7-11-14-19(3,23-17(20)5-2)18(21)22-15-16-12-9-8-10-13-16/h8-14H,4-7,15H2,1-3H3/b14-11+/t19-/m0/s1