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

Systemtic Name: (phenylmethyl) (E,2S)-2-methyl-2-propanoylsulfanyl-hex-3-enoate Openeye Name: benzyl (E,2S)-2-methyl-2-propanoylsulfanyl-hex-3-enoate CAS Name: (E,2S)-2-methyl-2-(1-oxopropylthio)-3-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-methyl-2-propanoylsulfanylhex-3-enoate Traditional Name: (E,2S)-2-methyl-2-(propionylthio)hex-3-enoic acid benzyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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