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

Systemtic Name: methyl 5-(N'-ethanoylcarbamimidoyl)sulfanyl-4-oxidanylidene-pentanoate hydrochloride Openeye Name: methyl 5-(N'-acetylcarbamimidoyl)sulfanyl-4-oxo-pentanoate hydrochloride CAS Name: 5-[[acetylimino(amino)methyl]thio]-4-oxopentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(N'-acetylcarbamimidoyl)sulfanyl-4-oxopentanoate hydrochloride Traditional Name: 5-[(N'-acetylamidino)thio]-4-keto-valeric acid methyl ester hydrochloride Formula: C9H15ClN2O4S MolecularWeight: 282.7444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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