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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

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