[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid [2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid [2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c1-14(19-10-16-4-2-3-5-18(16)27-19)23-20(24)11-26-21(25)13-28-12-15-6-8-17(22)9-7-15/h2-10,14H,11-13H2,1H3,(H,23,24)