(2S)-2-azaniumyl-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoate

Systemtic Name: (2S)-2-azaniumyl-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoate Openeye Name: (2S)-2-azaniumyl-3-methyl-3-(p-tolylmethylsulfanyl)butanoate CAS Name: (2S)-2-ammonio-3-methyl-3-[(4-methylphenyl)methylthio]butanoate IUPAC Name: (2S)-2-azaniumyl-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoate Traditional Name: (2S)-2-ammonio-3-methyl-3-[(4-methylbenzyl)thio]butyrate Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C)(C)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C)(C)[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H19NO2S/c1-9-4-6-10(7-5-9)8-17-13(2,3)11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1