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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC#N)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCC#N)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H17BrN2O3S/c1-11(22-10-12-3-5-13(16)6-4-12)15(20)21-9-14(19)18-8-2-7-17/h3-6,11H,2,8-10H2,1H3,(H,18,19)/t11-/m0/s1