2-[[3-(ethanoylsulfanylmethyl)-4-(3-fluorophenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate

Systemtic Name: 2-[[3-(ethanoylsulfanylmethyl)-4-(3-fluorophenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate Openeye Name: 2-[[3-(acetylsulfanylmethyl)-4-(3-fluorophenyl)-2-oxo-1-phenyl-butyl]amino]acetate CAS Name: 2-[[3-[(acetylthio)methyl]-4-(3-fluorophenyl)-2-oxo-1-phenylbutyl]amino]acetate IUPAC Name: 2-[[3-(acetylsulfanylmethyl)-4-(3-fluorophenyl)-2-oxo-1-phenylbutyl]amino]acetate Traditional Name: 2-[[3-[(acetylthio)methyl]-4-(3-fluorophenyl)-2-keto-1-phenyl-butyl]amino]acetate Formula: C21H21FNO4S- MolecularWeight: 402.459143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC(=CC=C1)F)C(=O)C(C2=CC=CC=C2)NCC(=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=CC(=CC=C1)F)C(=O)C(C2=CC=CC=C2)NCC(=O)[O-]

InChI

InChI=1S/C21H22FNO4S/c1-14(24)28-13-17(10-15-6-5-9-18(22)11-15)21(27)20(23-12-19(25)26)16-7-3-2-4-8-16/h2-9,11,17,20,23H,10,12-13H2,1H3,(H,25,26)/p-1