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

Systemtic Name: methyl 2-[5-[3-(5-fluoranyl-4-methoxy-oxan-2-yl)phenyl]sulfanyl-2-nitro-phenoxy]propanoate Openeye Name: methyl 2-[5-[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenyl]sulfanyl-2-nitro-phenoxy]propanoate CAS Name: 2-[5-[[3-(5-fluoro-4-methoxy-2-oxanyl)phenyl]thio]-2-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[3-(5-fluoro-4-methoxyoxan-2-yl)phenyl]sulfanyl-2-nitrophenoxy]propanoate Traditional Name: 2-[5-[[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenyl]thio]-2-nitro-phenoxy]propionic acid methyl ester Formula: C22H24FNO7S MolecularWeight: 465.491863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO7S/c1-13(22(25)29-3)31-21-10-16(7-8-18(21)24(26)27)32-15-6-4-5-14(9-15)19-11-20(28-2)17(23)12-30-19/h4-10,13,17,19-20H,11-12H2,1-3H3