[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C13H13BrN2O3S/c14-10-2-4-11(5-3-10)20-9-13(18)19-8-12(17)16-7-1-6-15/h2-5H,1,7-9H2,(H,16,17)