[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C20H17ClFNO3S MolecularWeight: 405.870283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H17ClFNO3S/c1-10-6-11(2)18(12(3)7-10)23-16(24)9-26-20(25)19-17(21)14-5-4-13(22)8-15(14)27-19/h4-8H,9H2,1-3H3,(H,23,24)