(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H24FNO5S MolecularWeight: 433.493063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C22H24FNO5S/c1-4-28-20-10-5-16(14(2)25)11-17(20)12-29-22(27)15(3)30-13-21(26)24-19-8-6-18(23)7-9-19/h5-11,15H,4,12-13H2,1-3H3,(H,24,26)