(4-methylsulfanylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [4-(methylthio)benzyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H18N2O4S2/c1-25-16-7-3-14(4-8-16)13-24-18(21)15-5-9-17(10-6-15)26(22,23)20-12-2-11-19/h3-10,20H,2,12-13H2,1H3