[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C22H24FNO4S/c1-15(2)13-21(26)24-18-7-3-16(4-8-18)20(25)14-28-22(27)11-12-29-19-9-5-17(23)6-10-19/h3-10,15H,11-14H2,1-2H3,(H,24,26)