S-[[3-(bromomethyl)-5-(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl] ethanethioate

Systemtic Name: S-[[3-(bromomethyl)-5-(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-(bromomethyl)-2,4,6-trimethyl-phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-(bromomethyl)-2,4,6-trimethylphenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-(bromomethyl)-2,4,6-trimethylphenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-(bromomethyl)-2,4,6-trimethyl-benzyl] ester Formula: C16H21BrO2S2 MolecularWeight: 389.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CSC(=O)C)C)CBr)C)CSC(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CSC(=O)C)C)CBr)C)CSC(=O)C

InChI

InChI=1S/C16H21BrO2S2/c1-9-14(6-17)10(2)16(8-21-13(5)19)11(3)15(9)7-20-12(4)18/h6-8H2,1-5H3