2-[2-(2-methylpropanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(isobutyrylamino)phenyl]thio]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-4-7-13(15(18)19)20-12-9-6-5-8-11(12)16-14(17)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3,(H,16,17)(H,18,19)