[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 5-(2-fluorophenyl)furan-2-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 5-(2-fluorophenyl)furan-2-carboxylate CAS Name: 5-(2-fluorophenyl)-2-furancarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 5-(2-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(2-fluorophenyl)furan-2-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C22H18FNO4S MolecularWeight: 411.446023

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3F

InChI

InChI=1S/C22H18FNO4S/c1-2-13-29-20-10-6-5-9-17(20)24-21(25)14-27-22(26)19-12-11-18(28-19)15-7-3-4-8-16(15)23/h2-12H,1,13-14H2,(H,24,25)