ethyl 2-cyano-3-[2-[(4-methylsulfanylphenyl)methylsulfamoyl]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-cyano-3-[2-[(4-methylsulfanylphenyl)methylsulfamoyl]phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-cyano-3-[2-[(4-methylsulfanylphenyl)methylsulfamoyl]phenyl]-3-oxo-propanoate CAS Name: 2-cyano-3-[2-[[4-(methylthio)phenyl]methylsulfamoyl]phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[2-[(4-methylsulfanylphenyl)methylsulfamoyl]phenyl]-3-oxopropanoate Traditional Name: 2-cyano-3-keto-3-[2-[[4-(methylthio)benzyl]sulfamoyl]phenyl]propionic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20N2O5S2/c1-3-27-20(24)17(12-21)19(23)16-6-4-5-7-18(16)29(25,26)22-13-14-8-10-15(28-2)11-9-14/h4-11,17,22H,3,13H2,1-2H3