(5-fluoranyl-2-nitro-phenyl) 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (5-fluoro-2-nitro-phenyl) 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (5-fluoro-2-nitro-phenyl) ester Formula: C16H14FNO4S MolecularWeight: 335.350063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FNO4S/c1-10-3-4-11(2)15(7-10)23-9-16(19)22-14-8-12(17)5-6-13(14)18(20)21/h3-8H,9H2,1-2H3