2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(pivaloylamino)phenyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)C

InChI

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