[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H18FNO5S2 MolecularWeight: 411.467623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO5S2/c1-26-16-5-3-2-4-15(16)20-17(21)12-25-18(22)10-11-27(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,21)