[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28FN3O4S/c1-15(30)27-24-28-21(14-34-24)23(32)33-13-22(31)29(12-16-2-4-20(26)5-3-16)25-9-17-6-18(10-25)8-19(7-17)11-25/h2-5,14,17-19H,6-13H2,1H3,(H,27,28,30)