[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C18H16F3NO4S MolecularWeight: 399.38415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C18H16F3NO4S/c1-25-14-6-2-12(3-7-14)10-22-16(23)11-26-17(24)13-4-8-15(9-5-13)27-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23)