[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21FN4O5S MolecularWeight: 448.467943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CSC(=N3)NC(=O)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CSC(=N3)NC(=O)C)F

InChI

InChI=1S/C20H21FN4O5S/c1-12(26)14-3-4-17(15(21)9-14)24-5-7-25(8-6-24)18(28)10-30-19(29)16-11-31-20(23-16)22-13(2)27/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23,27)