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

Systemtic Name: (phenylmethyl) (E,2R)-2-methyl-2-propanoylsulfanyl-dec-3-enoate Openeye Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanyl-dec-3-enoate CAS Name: (E,2R)-2-methyl-2-(1-oxopropylthio)-3-decenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanyldec-3-enoate Traditional Name: (E,2R)-2-methyl-2-(propionylthio)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)SC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3S/c1-4-6-7-8-9-13-16-21(3,25-19(22)5-2)20(23)24-17-18-14-11-10-12-15-18/h10-16H,4-9,17H2,1-3H3/b16-13+/t21-/m1/s1