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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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