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

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3O3S/c1-2-27-19(25)17-12-28-18(22-17)11-24(16-3-4-16)20(26)23-21-8-13-5-14(9-21)7-15(6-13)10-21/h12-16H,2-11H2,1H3,(H,23,26)