[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[bis(4-fluorophenyl)methylthio]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[bis(4-fluorophenyl)methylthio]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H25F2NO3S MolecularWeight: 421.500606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CSC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CSC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H25F2NO3S/c1-3-19(4-2)25-20(26)13-28-21(27)14-29-22(15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,25,26)