S-[(5R)-2-(ethanoylsulfanylmethyl)-7-methyl-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]octyl] ethanethioate

Systemtic Name: S-[(5R)-2-(ethanoylsulfanylmethyl)-7-methyl-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]octyl] ethanethioate Openeye Name: S-[(5R)-2-(acetylsulfanylmethyl)-5-[2-(hydroxyamino)-2-oxo-ethyl]-7-methyl-octyl] ethanethioate CAS Name: ethanethioic acid S-[(5R)-2-[(acetylthio)methyl]-5-[2-(hydroxyamino)-2-oxoethyl]-7-methyloctyl] ester IUPAC Name: S-[(5R)-2-(acetylsulfanylmethyl)-5-[2-(hydroxyamino)-2-oxoethyl]-7-methyloctyl] ethanethioate Traditional Name: ethanethioic acid S-[(5R)-2-[(acetylthio)methyl]-5-[2-(hydroxyamino)-2-keto-ethyl]-7-methyl-octyl] ester Formula: C16H29NO4S2 MolecularWeight: 363.53576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC(CSC(=O)C)CSC(=O)C)CC(=O)NO

Isomeric SMILES

CC(C)C[C@@H](CCC(CSC(=O)C)CSC(=O)C)CC(=O)NO

InChI

InChI=1S/C16H29NO4S2/c1-11(2)7-14(8-16(20)17-21)5-6-15(9-22-12(3)18)10-23-13(4)19/h11,14-15,21H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1