methyl (2R)-4-methylsulfanyl-2-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[(phenylmethyl)amino]butanoate Openeye Name: methyl (2R)-2-(benzylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-(benzylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(benzylamino)-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)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@@H](CCSC)NCC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3/t12-/m1/s1