[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C18H14F3NO5S MolecularWeight: 413.36767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3NO5S/c1-10(23)22-14-8-12(4-7-15(14)24)16(25)9-27-17(26)11-2-5-13(6-3-11)28-18(19,20)21/h2-8,24H,9H2,1H3,(H,22,23)