2-[2-(2-fluorophenyl)sulfanylethylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-(2-fluorophenyl)sulfanylethylamino]-2-methyl-pentanoic acid Openeye Name: 2-[2-(2-fluorophenyl)sulfanylethylamino]-2-methyl-pentanoic acid CAS Name: 2-[2-[(2-fluorophenyl)thio]ethylamino]-2-methylpentanoic acid IUPAC Name: 2-[2-(2-fluorophenyl)sulfanylethylamino]-2-methylpentanoic acid Traditional Name: 2-[2-[(2-fluorophenyl)thio]ethylamino]-2-methyl-valeric acid Formula: C14H20FNO2S MolecularWeight: 285.377503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCCSC1=CC=CC=C1F

Isomeric SMILES

CCCC(C)(C(=O)O)NCCSC1=CC=CC=C1F

InChI

InChI=1S/C14H20FNO2S/c1-3-8-14(2,13(17)18)16-9-10-19-12-7-5-4-6-11(12)15/h4-7,16H,3,8-10H2,1-2H3,(H,17,18)