methyl 4-[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[3-[(4-fluorophenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[3-[(4-fluorophenyl)thio]propanoyloxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO5S/c1-26-20(25)15-4-2-14(3-5-15)12-22-18(23)13-27-19(24)10-11-28-17-8-6-16(21)7-9-17/h2-9H,10-13H2,1H3,(H,22,23)