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

Systemtic Name: methyl 2-[[1-adamantylcarbonyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[adamantane-1-carbonyl(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[1-adamantyl(oxo)methyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[adamantane-1-carbonyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[adamantane-1-carbonyl(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-26-5-3-4-23(12-18-22-17(13-28-18)19(24)27-2)20(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-16H,3-12H2,1-2H3