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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-26-4-3-23(11-17-21-16(12-28-17)18(24)27-2)19(25)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H,22,25)