methyl 4-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyloxymethyl]benzoate Openeye Name: methyl 4-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoyloxymethyl]benzoate CAS Name: 4-[[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoyloxymethyl]benzoate Traditional Name: 4-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propanoyloxymethyl]benzoic acid methyl ester Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO5S/c1-13(28-12-18(23)22-17-9-7-16(21)8-10-17)19(24)27-11-14-3-5-15(6-4-14)20(25)26-2/h3-10,13H,11-12H2,1-2H3,(H,22,23)