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

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-4-27-19(25)17-12-28-18(22-17)11-24(13(2)3)20(26)23-21-8-14-5-15(9-21)7-16(6-14)10-21/h12-16H,4-11H2,1-3H3,(H,23,26)