[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylfuran-2-carboxylate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylfuran-2-carboxylate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18FNO4 MolecularWeight: 367.370323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CO2)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CO2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H18FNO4/c1-13-8-9-16(12-18(13)22)23-20(24)14(2)27-21(25)19-17(10-11-26-19)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,23,24)/t14-/m0/s1