methyl 5-(N'-ethanoylcarbamimidoyl)sulfanyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(N'-ethanoylcarbamimidoyl)sulfanyl-4-oxidanylidene-pentanoate Openeye Name: methyl 5-(N'-acetylcarbamimidoyl)sulfanyl-4-oxo-pentanoate CAS Name: 5-[[acetylimino(amino)methyl]thio]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(N'-acetylcarbamimidoyl)sulfanyl-4-oxopentanoate Traditional Name: 5-[(N'-acetylamidino)thio]-4-keto-valeric acid methyl ester Formula: C9H14N2O4S MolecularWeight: 246.28346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C(N)SCC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)N=C(N)SCC(=O)CCC(=O)OC

InChI

InChI=1S/C9H14N2O4S/c1-6(12)11-9(10)16-5-7(13)3-4-8(14)15-2/h3-5H2,1-2H3,(H2,10,11,12)