(phenylmethyl) 2-(ethanoylsulfanylmethyl)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-(ethanoylsulfanylmethyl)-4-methyl-pentanoate Openeye Name: benzyl 2-(acetylsulfanylmethyl)-4-methyl-pentanoate CAS Name: 2-[(acetylthio)methyl]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(acetylsulfanylmethyl)-4-methylpentanoate Traditional Name: 2-[(acetylthio)methyl]-4-methyl-valeric acid benzyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-12(2)9-15(11-20-13(3)17)16(18)19-10-14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3