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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-3-29-6-4-5-25(13-19-23-18(14-30-19)20(26)28-2)21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h14-17H,3-13H2,1-2H3,(H,24,27)