[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C18H18FNO5S2 MolecularWeight: 411.467623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

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