methyl 2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H20FNO6S MolecularWeight: 421.439303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)F

InChI

InChI=1S/C20H20FNO6S/c1-11(23)12-5-6-18(14(21)7-12)29-10-19(24)22-15-9-17(27-3)16(26-2)8-13(15)20(25)28-4/h5-9H,10H2,1-4H3,(H,22,24)