S-[[3-bromanyl-5,7-bis(ethanoylsulfanylmethyl)-1-adamantyl]methyl] ethanethioate

Systemtic Name: S-[[3-bromanyl-5,7-bis(ethanoylsulfanylmethyl)-1-adamantyl]methyl] ethanethioate Openeye Name: S-[[3,5-bis(acetylsulfanylmethyl)-7-bromo-1-adamantyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3,5-bis[(acetylthio)methyl]-7-bromo-1-adamantyl]methyl] ester IUPAC Name: S-[[3,5-bis(acetylsulfanylmethyl)-7-bromo-1-adamantyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[3,5-bis[(acetylthio)methyl]-7-bromo-1-adamantyl]methyl] ester Formula: C19H27BrO3S3 MolecularWeight: 479.51488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC12CC3(CC(C1)(CC(C2)(C3)Br)CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC(=O)SCC12CC3(CC(C1)(CC(C2)(C3)Br)CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C19H27BrO3S3/c1-13(21)24-10-16-4-17(11-25-14(2)22)6-18(5-16,12-26-15(3)23)9-19(20,7-16)8-17/h4-12H2,1-3H3