sulfanium; 2-[methyl(2-phenylethanoyl)amino]-4-methylsulfanyl-butanoate; sulfuric acid

Systemtic Name: sulfanium; 2-[methyl(2-phenylethanoyl)amino]-4-methylsulfanyl-butanoate; sulfuric acid Openeye Name: sulfonium; 2-[methyl-(2-phenylacetyl)amino]-4-methylsulfanyl-butanoate; sulfuric acid CAS Name: sulfonium; 2-[methyl-(1-oxo-2-phenylethyl)amino]-4-(methylthio)butanoate; sulfuric acid IUPAC Name: sulfanium; 2-[methyl-(2-phenylacetyl)amino]-4-methylsulfanylbutanoate; sulfuric acid Traditional Name: sulfonium; 2-[methyl-(2-phenylacetyl)amino]-4-(methylthio)butyrate; sulfuric acid Formula: C14H23NO7S3 MolecularWeight: 413.52992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCSC)C(=O)[O-])C(=O)CC1=CC=CC=C1.OS(=O)(=O)O.[SH3+]

Isomeric SMILES

CN(C(CCSC)C(=O)[O-])C(=O)CC1=CC=CC=C1.OS(=O)(=O)O.[SH3+]

InChI

InChI=1S/C14H19NO3S.H2O4S.H2S/c1-15(12(14(17)18)8-9-19-2)13(16)10-11-6-4-3-5-7-11;1-5(2,3)4;/h3-7,12H,8-10H2,1-2H3,(H,17,18);(H2,1,2,3,4);1H2