2-[(3-acetamido-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)disulfanyl]benzoic acid

Systemtic Name: 2-[(3-acetamido-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)disulfanyl]benzoic acid Openeye Name: 2-[(2-acetamido-3-hydroxy-1,1-dimethyl-3-oxo-propyl)disulfanyl]benzoic acid CAS Name: 2-[(3-acetamido-4-hydroxy-2-methyl-4-oxobutan-2-yl)disulfanyl]benzoic acid IUPAC Name: 2-[(3-acetamido-4-hydroxy-2-methyl-4-oxobutan-2-yl)disulfanyl]benzoic acid Traditional Name: 2-[(2-acetamido-3-hydroxy-3-keto-1,1-dimethyl-propyl)disulfanyl]benzoic acid Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)O)C(C)(C)SSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(=O)NC(C(=O)O)C(C)(C)SSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H17NO5S2/c1-8(16)15-11(13(19)20)14(2,3)22-21-10-7-5-4-6-9(10)12(17)18/h4-7,11H,1-3H3,(H,15,16)(H,17,18)(H,19,20)