methyl 2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]-5-morpholino-benzoate CAS Name: 2-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)F

InChI

InChI=1S/C22H23FN2O5S/c1-14(26)15-3-6-20(18(23)11-15)31-13-21(27)24-19-5-4-16(12-17(19)22(28)29-2)25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)