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

Systemtic Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(pivaloylamino)phenyl]thio]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-5-8-13(14(18)19)21-12-10-7-6-9-11(12)17-15(20)16(2,3)4/h6-7,9-10,13H,5,8H2,1-4H3,(H,17,20)(H,18,19)