[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21NO6S2/c1-15-5-10-19(31(26,27)23-13-17-4-3-11-28-17)12-20(15)22(25)29-14-21(24)16-6-8-18(30-2)9-7-16/h3-12,23H,13-14H2,1-2H3