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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid methyl ester Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2/c1-17-12(14)11(8-9-18-2)13-19(15,16)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m0/s1