methyl 2-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]-2-methyl-propanoate

Systemtic Name: methyl 2-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]-2-methyl-propanoate Openeye Name: methyl 2-[5-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]-2-methyl-propanoate CAS Name: 2-[5-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]-2-nitrophenoxy]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[5-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitrophenoxy]-2-methylpropanoate Traditional Name: 2-[5-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-2-nitro-phenoxy]-2-methyl-propionic acid methyl ester Formula: C23H26FNO7S MolecularWeight: 479.518443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC(=CC(=C2)F)C3(CCOCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC(=CC(=C2)F)C3(CCOCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H26FNO7S/c1-22(2,21(26)29-3)32-20-14-17(5-6-19(20)25(27)28)33-18-12-15(11-16(24)13-18)23(30-4)7-9-31-10-8-23/h5-6,11-14H,7-10H2,1-4H3