[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S2/c1-30-18-8-3-6-16(12-18)23-20(24)14-29-21(25)15-5-2-9-19(11-15)31(26,27)22-13-17-7-4-10-28-17/h2-12,22H,13-14H2,1H3,(H,23,24)