diethyl 5-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F)C(=O)OCC

InChI

InChI=1S/C22H22FNO6S/c1-4-29-21(27)15-8-16(22(28)30-5-2)10-17(9-15)24-20(26)12-31-19-7-6-14(13(3)25)11-18(19)23/h6-11H,4-5,12H2,1-3H3,(H,24,26)