[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C18H26N2O4S/c1-12-6-8-14(9-7-12)25-11-10-15(21)24-13(2)16(22)19-17(23)20-18(3,4)5/h6-9,13H,10-11H2,1-5H3,(H2,19,20,22,23)/t13-/m0/s1