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

Systemtic Name: ethyl (2S)-2-cyano-3-methylsulfanyl-3-(4-nitrophenyl)sulfonylimino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-methylsulfanyl-3-(4-nitrophenyl)sulfonylimino-propanoate CAS Name: (2S)-2-cyano-3-(methylthio)-3-(4-nitrophenyl)sulfonyliminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-methylsulfanyl-3-(4-nitrophenyl)sulfonyliminopropanoate Traditional Name: (2S)-2-cyano-3-(methylthio)-3-nosylimino-propionic acid ethyl ester Formula: C13H13N3O6S2 MolecularWeight: 371.38882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6S2/c1-3-22-13(17)11(8-14)12(23-2)15-24(20,21)10-6-4-9(5-7-10)16(18)19/h4-7,11H,3H2,1-2H3/t11-/m1/s1