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

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H35N3O4S/c1-3-29-7-5-6-26(14-20-24-19(15-31-20)21(27)30-4-2)22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-18H,3-14H2,1-2H3,(H,25,28)