[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C24H23FN4O5S MolecularWeight: 498.526623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H23FN4O5S/c1-16(30)28(22-8-4-3-7-20(22)25)24-26-17(15-35-24)14-34-23(31)19-13-18(29(32)33)9-10-21(19)27-11-5-2-6-12-27/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3