2-(2-fluorophenyl)sulfanylethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O5S/c20-15-3-1-2-4-18(15)28-12-11-27-19(23)14-5-6-16(17(13-14)22(24)25)21-7-9-26-10-8-21/h1-6,13H,7-12H2