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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O4S/c1-27-5-3-4-24(12-18-22-17(13-29-18)19(25)28-2)20(26)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h13-16H,3-12H2,1-2H3,(H,23,26)