[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C16H12BrFN2O3S MolecularWeight: 411.245483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(S2)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(S2)Br)F

InChI

InChI=1S/C16H12BrFN2O3S/c17-14-7-6-13(24-14)16(22)23-10-15(21)20(9-3-8-19)12-5-2-1-4-11(12)18/h1-2,4-7H,3,9-10H2