ethyl (2S)-3-(4-bromophenyl)sulfonylimino-2-cyano-3-methylsulfanyl-propanoate

Systemtic Name: ethyl (2S)-3-(4-bromophenyl)sulfonylimino-2-cyano-3-methylsulfanyl-propanoate Openeye Name: ethyl (2S)-3-(4-bromophenyl)sulfonylimino-2-cyano-3-methylsulfanyl-propanoate CAS Name: (2S)-3-(4-bromophenyl)sulfonylimino-2-cyano-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-bromophenyl)sulfonylimino-2-cyano-3-methylsulfanylpropanoate Traditional Name: (2S)-3-brosylimino-2-cyano-3-(methylthio)propionic acid ethyl ester Formula: C13H13BrN2O4S2 MolecularWeight: 405.28732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NS(=O)(=O)C1=CC=C(C=C1)Br)SC

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=NS(=O)(=O)C1=CC=C(C=C1)Br)SC

InChI

InChI=1S/C13H13BrN2O4S2/c1-3-20-13(17)11(8-15)12(21-2)16-22(18,19)10-6-4-9(14)5-7-10/h4-7,11H,3H2,1-2H3/t11-/m1/s1