[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C21H20FNO5S/c1-2-26-16-4-6-17(7-5-16)27-10-9-23-20(24)13-28-21(25)19-12-14-11-15(22)3-8-18(14)29-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,24)