(5-cyano-2-fluoranyl-phenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C23H15FN2O5S MolecularWeight: 450.439003

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C23H15FN2O5S/c1-32-21-9-7-15(11-20(21)26(29)30)22(27)17-4-2-3-5-18(17)23(28)31-13-16-10-14(12-25)6-8-19(16)24/h2-11H,13H2,1H3