[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3)F

InChI

InChI=1S/C21H18FNO4S/c1-14-8-9-18(17(22)11-14)23-20(24)12-27-21(25)16-6-2-3-7-19(16)28-13-15-5-4-10-26-15/h2-11H,12-13H2,1H3,(H,23,24)