4-(4-methylsulfanylphenyl)sulfanyl-5-(oxidanylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(4-methylsulfanylphenyl)sulfanyl-5-(oxidanylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(hydroxyamino)-4-(4-methylsulfanylphenyl)sulfanyl-5-oxo-pentanoic acid CAS Name: 5-(hydroxyamino)-4-[[4-(methylthio)phenyl]thio]-5-oxopentanoic acid IUPAC Name: 5-(hydroxyamino)-4-(4-methylsulfanylphenyl)sulfanyl-5-oxopentanoic acid Traditional Name: 5-(hydroxyamino)-5-keto-4-[[4-(methylthio)phenyl]thio]valeric acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SC(CCC(=O)O)C(=O)NO

Isomeric SMILES

CSC1=CC=C(C=C1)SC(CCC(=O)O)C(=O)NO

InChI

InChI=1S/C12H15NO4S2/c1-18-8-2-4-9(5-3-8)19-10(12(16)13-17)6-7-11(14)15/h2-5,10,17H,6-7H2,1H3,(H,13,16)(H,14,15)