[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H19FN2O8S MolecularWeight: 478.447563

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H19FN2O8S/c22-16-3-2-14(33(28,29)24-5-7-30-8-6-24)10-15(16)21(27)32-11-18(25)13-1-4-19-17(9-13)23-20(26)12-31-19/h1-4,9-10H,5-8,11-12H2,(H,23,26)