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

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(tert-butyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(tert-butyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-tert-butylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(tert-butyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(tert-butyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-5-28-19(26)17-13-29-18(23-17)12-25(21(2,3)4)20(27)24-22-9-14-6-15(10-22)8-16(7-14)11-22/h13-16H,5-12H2,1-4H3,(H,24,27)