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

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H17F2NO5S MolecularWeight: 409.403786

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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)OC(F)F)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2NO5S/c1-11(23)22-15-9-13(5-8-17(15)28-2)16(24)10-26-18(25)12-3-6-14(7-4-12)27-19(20)21/h3-9,19H,10H2,1-2H3,(H,22,23)