[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C(C)SC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)[C@H](C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H23ClN2O4S/c1-10(14(21)19-16(23)20-17(3,4)5)24-15(22)11(2)25-13-8-6-12(18)7-9-13/h6-11H,1-5H3,(H2,19,20,21,23)/t10-,11+/m1/s1