[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO5S/c1-25-14-8-5-12(9-15(14)26-2)22-16(23)10-27-17(24)11-3-6-13(7-4-11)28-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)