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

Systemtic Name: ethyl 2-[[1-adamantylcarbonyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[adamantane-1-carbonyl(isopentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[1-adamantyl(oxo)methyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O3S/c1-4-28-21(26)19-14-29-20(24-19)13-25(6-5-15(2)3)22(27)23-10-16-7-17(11-23)9-18(8-16)12-23/h14-18H,4-13H2,1-3H3