[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c1-11-7-14(27-10-22)5-6-15(11)23-16(24)9-26-17(25)12-3-2-4-13(8-12)18(19,20)21/h2-8H,9H2,1H3,(H,23,24)