methyl 2-azanyl-4-methylsulfanyl-2-(phenylmethyl)butanoate

Systemtic Name: methyl 2-azanyl-4-methylsulfanyl-2-(phenylmethyl)butanoate Openeye Name: methyl 2-amino-2-benzyl-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-amino-2-benzyl-4-methylsulfanylbutanoate Traditional Name: 2-amino-2-benzyl-4-(methylthio)butyric acid methyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)(CC1=CC=CC=C1)N

Isomeric SMILES

COC(=O)C(CCSC)(CC1=CC=CC=C1)N

InChI

InChI=1S/C13H19NO2S/c1-16-12(15)13(14,8-9-17-2)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3