[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C23H21FN4O5S MolecularWeight: 484.500043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN4O5S/c24-17-7-4-15(5-8-17)18-14-34-23(25-18)26-21(29)13-33-22(30)16-6-9-19(20(12-16)28(31)32)27-10-2-1-3-11-27/h4-9,12,14H,1-3,10-11,13H2,(H,25,26,29)