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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-26-18(24)16-11-27-17(21-16)10-23(15-2-3-15)19(25)22-20-7-12-4-13(8-20)6-14(5-12)9-20/h11-15H,2-10H2,1H3,(H,22,25)