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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H22ClNO3S/c1-11(15(20)18-16(2,3)4)21-14(19)9-10-22-13-7-5-12(17)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,18,20)/t11-/m0/s1