2-(2-fluorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O4S/c1-19(2)14-8-7-12(11-15(14)20(22)23)17(21)24-9-10-25-16-6-4-3-5-13(16)18/h3-8,11H,9-10H2,1-2H3