S-[[1,3-diethanoyl-5-(ethanoylsulfanylmethyl)-2-oxidanylidene-imidazol-4-yl]methyl] ethanethioate

Systemtic Name: S-[[1,3-diethanoyl-5-(ethanoylsulfanylmethyl)-2-oxidanylidene-imidazol-4-yl]methyl] ethanethioate Openeye Name: S-[[1,3-diacetyl-5-(acetylsulfanylmethyl)-2-oxo-imidazol-4-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[1,3-diacetyl-5-[(acetylthio)methyl]-2-oxo-4-imidazolyl]methyl] ester IUPAC Name: S-[[1,3-diacetyl-5-(acetylsulfanylmethyl)-2-oxoimidazol-4-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1,3-diacetyl-5-[(acetylthio)methyl]-2-keto-4-imidazolin-4-yl]methyl] ester Formula: C13H16N2O5S2 MolecularWeight: 344.40654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(N(C1=O)C(=O)C)CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC(=O)N1C(=C(N(C1=O)C(=O)C)CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C13H16N2O5S2/c1-7(16)14-11(5-21-9(3)18)12(6-22-10(4)19)15(8(2)17)13(14)20/h5-6H2,1-4H3