methyl (2S)-4-methylsulfanyl-2-phenylazanyl-butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-phenylazanyl-butanoate Openeye Name: methyl (2S)-2-anilino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-anilino-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-anilino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-anilino-4-(methylthio)butyric acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-15-12(14)11(8-9-16-2)13-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1