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

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-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(C=CC=C3S2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

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