[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

InChI

InChI=1S/C20H16FN3O5S/c1-12-6-5-9-17(24(27)28)18(12)19(26)29-10-14-11-30-20(22-14)23(13(2)25)16-8-4-3-7-15(16)21/h3-9,11H,10H2,1-2H3