[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H20FNO4S MolecularWeight: 389.440503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H20FNO4S/c21-16-8-6-15(7-9-16)18(23)10-11-20(25)26-14-19(24)22-12-13-27-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,24)