[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O5S2/c1-13(2)17(20-27(23,24)16-9-6-10-26-16)18(22)25-12-15(21)19-11-14-7-4-3-5-8-14/h3-10,13,17,20H,11-12H2,1-2H3,(H,19,21)/t17-/m0/s1