[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[(4-fluorophenyl)methoxy]benzoate CAS Name: 2-[(4-fluorophenyl)methoxy]benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 2-(4-fluorobenzyl)oxybenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C25H22FNO5S MolecularWeight: 467.509283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F)SC

InChI

InChI=1S/C25H22FNO5S/c1-16(28)27-21-13-18(9-12-24(21)33-2)22(29)15-32-25(30)20-5-3-4-6-23(20)31-14-17-7-10-19(26)11-8-17/h3-13H,14-15H2,1-2H3,(H,27,28)