[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3)F

InChI

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