3-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]butanoic acid Openeye Name: 3-methyl-2-[2-(p-tolylsulfanyl)ethylamino]butanoic acid CAS Name: 3-methyl-2-[2-[(4-methylphenyl)thio]ethylamino]butanoic acid IUPAC Name: 3-methyl-2-[2-(4-methylphenyl)sulfanylethylamino]butanoic acid Traditional Name: 3-methyl-2-[2-(p-tolylthio)ethylamino]butyric acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(C(C)C)C(=O)O

InChI

InChI=1S/C14H21NO2S/c1-10(2)13(14(16)17)15-8-9-18-12-6-4-11(3)5-7-12/h4-7,10,13,15H,8-9H2,1-3H3,(H,16,17)