(2-fluorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-fluorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-fluorophenyl)methyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (2-fluorobenzyl) ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO4S/c22-18-9-3-1-6-15(18)13-27-21(25)17-8-2-4-10-19(17)28-14-20(24)23-12-16-7-5-11-26-16/h1-11H,12-14H2,(H,23,24)