[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(4-fluorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-fluorophenoxy)-2-methyl-propionic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O4S/c1-13-10-16(28-12-22)8-9-17(13)23-18(24)11-26-19(25)20(2,3)27-15-6-4-14(21)5-7-15/h4-10H,11H2,1-3H3,(H,23,24)