4-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(pivaloylamino)phenyl]thio]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)14(19)16-11-7-4-5-8-12(11)20-10-6-9-13(17)18/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,19)(H,17,18)