[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O5S2/c1-12(2)17(20-27(23,24)16-5-4-10-26-16)18(22)25-11-15(21)19-14-8-6-13(3)7-9-14/h4-10,12,17,20H,11H2,1-3H3,(H,19,21)/t17-/m0/s1