[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C24H28N2O3S/c1-14(22(27)26-24-11-16-8-17(12-24)10-18(9-16)13-24)29-23(28)21-20(25-15(2)30-21)19-6-4-3-5-7-19/h3-7,14,16-18H,8-13H2,1-2H3,(H,26,27)/t14-,16?,17?,18?,24?/m0/s1