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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-4-23(5-2)30(26,27)20-13-6-17(7-14-20)8-15-22(25)28-16-21(24)18-9-11-19(29-3)12-10-18/h6-15H,4-5,16H2,1-3H3/b15-8+