ethyl 2-cyano-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-propanoate

Systemtic Name: ethyl 2-cyano-3-(4-methylphenyl)sulfonylimino-3-methylsulfanyl-propanoate Openeye Name: ethyl 2-cyano-3-methylsulfanyl-3-(p-tolylsulfonylimino)propanoate CAS Name: 2-cyano-3-(4-methylphenyl)sulfonylimino-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(4-methylphenyl)sulfonylimino-3-methylsulfanylpropanoate Traditional Name: 2-cyano-3-(methylthio)-3-tosylimino-propionic acid ethyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S2/c1-4-20-14(17)12(9-15)13(21-3)16-22(18,19)11-7-5-10(2)6-8-11/h5-8,12H,4H2,1-3H3