(3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3)F

InChI

InChI=1S/C22H20FNO5S/c1-27-19-9-8-15(11-18(19)23)13-29-22(26)17-6-2-3-7-20(17)30-14-21(25)24-12-16-5-4-10-28-16/h2-11H,12-14H2,1H3,(H,24,25)