[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5S2/c1-14(2)19(22-29(25,26)17-10-5-4-6-11-17)20(24)27-13-18(23)21-15-8-7-9-16(12-15)28-3/h4-12,14,19,22H,13H2,1-3H3,(H,21,23)/t19-/m0/s1