[4-(4-fluorophenyl)carbonylphenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]acetic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]acetic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C23H18FNO6S MolecularWeight: 455.455523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H18FNO6S/c1-30-21-11-2-15(12-20(21)25(28)29)13-32-14-22(26)31-19-9-5-17(6-10-19)23(27)16-3-7-18(24)8-4-16/h2-12H,13-14H2,1H3