(4-methylsulfanylphenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO4S2/c1-4-22(5-2)28(24,25)20-13-8-17(9-14-20)10-15-21(23)26-16-18-6-11-19(27-3)12-7-18/h6-15H,4-5,16H2,1-3H3/b15-10+