(phenylmethyl) (E,2S)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)dec-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)dec-3-enoate Openeye Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)dec-3-enoate CAS Name: (E,2S)-2-methyl-2-(3-oxopropylthio)-3-decenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)dec-3-enoate Traditional Name: (E,2S)-2-(3-ketopropylthio)-2-methyl-dec-3-enoic acid benzyl ester Formula: C21H30O3S MolecularWeight: 362.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(C)(C(=O)OCC1=CC=CC=C1)SCCC=O

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3S/c1-3-4-5-6-7-11-15-21(2,25-17-12-16-22)20(23)24-18-19-13-9-8-10-14-19/h8-11,13-16H,3-7,12,17-18H2,1-2H3/b15-11+/t21-/m0/s1