2-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]pentanoic acid Openeye Name: 2-methyl-2-[2-(p-tolylsulfanyl)ethylamino]pentanoic acid CAS Name: 2-methyl-2-[2-[(4-methylphenyl)thio]ethylamino]pentanoic acid IUPAC Name: 2-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]pentanoic acid Traditional Name: 2-methyl-2-[2-(p-tolylthio)ethylamino]valeric acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCCSC1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C)(C(=O)O)NCCSC1=CC=C(C=C1)C

InChI

InChI=1S/C15H23NO2S/c1-4-9-15(3,14(17)18)16-10-11-19-13-7-5-12(2)6-8-13/h5-8,16H,4,9-11H2,1-3H3,(H,17,18)