[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F)C)SC#N

InChI

InChI=1S/C19H15F3N2O3S/c1-11-7-15(28-10-23)8-12(2)17(11)24-16(25)9-27-18(26)13-3-5-14(6-4-13)19(20,21)22/h3-8H,9H2,1-2H3,(H,24,25)