[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-fluorophenoxy)methyl]-2-furancarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO5S/c1-29-18-4-2-3-15(11-18)23-20(24)13-27-21(25)19-10-9-17(28-19)12-26-16-7-5-14(22)6-8-16/h2-11H,12-13H2,1H3,(H,23,24)