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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-12-6-8-14(9-7-12)22-11-10-15(19)21-13(2)16(20)18-17(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,18,20)/t13-/m0/s1