[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H22FNO3S/c1-14(16-8-10-17(21)11-9-16)22-20(24)15(2)25-19(23)12-13-26-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)