[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C16H24N2O5S2/c1-4-5-10-25(21,22)18-12(2)16(20)23-11-15(19)17-13-8-6-7-9-14(13)24-3/h6-9,12,18H,4-5,10-11H2,1-3H3,(H,17,19)/t12-/m0/s1