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

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-furfurylsulfamoyl)phenyl]acrylic acid [4-(methylthio)benzyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21NO5S2/c1-29-20-9-4-18(5-10-20)16-28-22(24)13-8-17-6-11-21(12-7-17)30(25,26)23-15-19-3-2-14-27-19/h2-14,23H,15-16H2,1H3/b13-8+