methyl 2-[2-(4-fluorophenyl)sulfanylethanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)sulfanylethanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-morpholino-benzoate CAS Name: 2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-[(4-fluorophenyl)thio]acetyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O4S/c1-26-20(25)17-12-15(23-8-10-27-11-9-23)4-7-18(17)22-19(24)13-28-16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,24)