[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3S/c1-10(2)17-14(18)8-20-15(19)11(3)21-9-12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)/t11-/m0/s1