[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-bromophenyl)methylthio]propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-bromobenzyl)thio]propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)(C)C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC(C)(C)C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H22BrNO3S/c1-11(22-10-12-5-7-13(17)8-6-12)15(20)21-9-14(19)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,19)/t11-/m1/s1