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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [(1R)-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=C(SC(=N1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O3S/c1-14-20(30-22(25-14)19-6-4-3-5-7-19)23(28)29-15(2)21(27)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18H,8-13H2,1-2H3,(H,26,27)/t15-,16?,17?,18?,24?/m1/s1