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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC=CC(=C2)C3CC(C(CO3)F)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC=CC(=C2)C3CC(C(CO3)F)OC)[N+](=O)[O-]

InChI

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