2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-3-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-3-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)oxy-3-(benzenesulfonamido)propanoic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropoxy]-3-(benzenesulfonamido)propanoic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)oxy-3-(benzenesulfonamido)propanoic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]oxy-3-(benzenesulfonamido)propionic acid Formula: C15H19NO7S2 MolecularWeight: 389.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(CNS(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC(CNS(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H19NO7S2/c1-10(9-24-11(2)17)15(20)23-13(14(18)19)8-16-25(21,22)12-6-4-3-5-7-12/h3-7,10,13,16H,8-9H2,1-2H3,(H,18,19)