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

Systemtic Name: methyl 2-[[1-adamantylcarbonyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[adamantane-1-carbonyl(isopentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[1-adamantyl(oxo)methyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[adamantane-1-carbonyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[adamantane-1-carbonyl(isoamyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O3S/c1-14(2)4-5-24(12-19-23-18(13-28-19)20(25)27-3)21(26)22-9-15-6-16(10-22)8-17(7-15)11-22/h13-17H,4-12H2,1-3H3