ethyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(isopentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(isoamyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H35N3O3S MolecularWeight: 433.6073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H35N3O3S/c1-4-29-21(27)19-14-30-20(24-19)13-26(6-5-15(2)3)22(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h14-18H,4-13H2,1-3H3,(H,25,28)