S-[3-ethanoylsulfanyl-8-[2-(methoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]-8-oxidanylidene-octyl] ethanethioate

Systemtic Name: S-[3-ethanoylsulfanyl-8-[2-(methoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]-8-oxidanylidene-octyl] ethanethioate Openeye Name: S-[3-acetylsulfanyl-8-[2-(methoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]-8-oxo-octyl] ethanethioate CAS Name: ethanethioic acid S-[3-(acetylthio)-8-[4-mercapto-2-(methoxymethyl)-1-pyrrolidinyl]-8-oxooctyl] ester IUPAC Name: S-[3-acetylsulfanyl-8-[2-(methoxymethyl)-4-sulfanylpyrrolidin-1-yl]-8-oxooctyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(acetylthio)-8-keto-8-[4-mercapto-2-(methoxymethyl)pyrrolidino]octyl] ester Formula: C18H31NO4S3 MolecularWeight: 421.63804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCCC(=O)N1CC(CC1COC)S)SC(=O)C

Isomeric SMILES

CC(=O)SCCC(CCCCC(=O)N1CC(CC1COC)S)SC(=O)C

InChI

InChI=1S/C18H31NO4S3/c1-13(20)25-9-8-17(26-14(2)21)6-4-5-7-18(22)19-11-16(24)10-15(19)12-23-3/h15-17,24H,4-12H2,1-3H3