(phenylmethyl) (E,2R)-2-methyl-2-propanoylsulfanyl-pent-3-enoate

Systemtic Name: (phenylmethyl) (E,2R)-2-methyl-2-propanoylsulfanyl-pent-3-enoate Openeye Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanyl-pent-3-enoate CAS Name: (E,2R)-2-methyl-2-(1-oxopropylthio)-3-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanylpent-3-enoate Traditional Name: (E,2R)-2-methyl-2-(propionylthio)pent-3-enoic acid benzyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3S/c1-4-11-16(3,20-14(17)5-2)15(18)19-12-13-9-7-6-8-10-13/h4,6-11H,5,12H2,1-3H3/b11-4+/t16-/m1/s1