[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C20H16FNO3S MolecularWeight: 369.409343

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C20H16FNO3S/c1-2-10-22(16-6-4-3-5-7-16)19(23)13-25-20(24)18-12-14-11-15(21)8-9-17(14)26-18/h2-9,11-12H,1,10,13H2