[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N2O3S/c1-14(20(26)25-23-10-15-7-16(11-23)9-17(8-15)12-23)28-22(27)19-13-29-21(24-19)18-5-3-2-4-6-18/h2-6,13-17H,7-12H2,1H3,(H,25,26)/t14-,15?,16?,17?,23?/m1/s1