[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S2/c1-15-13(17)10-21-14(18)12(8-9-22-2)16-23(19,20)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,15,17)/t12-/m0/s1