(2S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-acetamido-3-(p-tolylmethylsulfanyl)propanoate CAS Name: (2S)-2-acetamido-3-[(4-methylphenyl)methylthio]propanoate IUPAC Name: (2S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-acetamido-3-[(4-methylbenzyl)thio]propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-3-5-11(6-4-9)7-18-8-12(13(16)17)14-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m1/s1