ethyl 2-[5-[3-(5-fluoranyl-4-methoxy-oxan-2-yl)phenyl]sulfanyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[5-[3-(5-fluoranyl-4-methoxy-oxan-2-yl)phenyl]sulfanyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[5-[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenyl]sulfanyl-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[5-[[3-(5-fluoro-4-methoxy-2-oxanyl)phenyl]thio]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[3-(5-fluoro-4-methoxyoxan-2-yl)phenyl]sulfanyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[5-[[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenyl]thio]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C22H24FNO6S2 MolecularWeight: 481.557463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=C1)SC2=CC=CC(=C2)C3CC(C(CO3)F)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=C1)SC2=CC=CC(=C2)C3CC(C(CO3)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24FNO6S2/c1-3-29-22(25)13-31-21-10-16(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/h4-10,17,19-20H,3,11-13H2,1-2H3