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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO5S/c1-13(24)15-4-9-19(27-3)16(10-15)11-28-21(26)14(2)29-12-20(25)23-18-7-5-17(22)6-8-18/h4-10,14H,11-12H2,1-3H3,(H,23,25)