2-methyl-2-[2-(2-methylpropanoylamino)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[2-(2-methylpropanoylamino)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[2-(2-methylpropanoylamino)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[2-(2-methylpropanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(isobutyrylamino)phenyl]thio]-2-methyl-propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-9(2)12(16)15-10-7-5-6-8-11(10)19-14(3,4)13(17)18/h5-9H,1-4H3,(H,15,16)(H,17,18)