[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C23H22FNO3S MolecularWeight: 411.489083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO3S/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)25-22(26)15-28-23(27)13-14-29-19-11-9-18(24)10-12-19/h2-12,16H,13-15H2,1H3,(H,25,26)