ethyl 2-[[3-methylbutyl(2-phenylmethoxyethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[3-methylbutyl(2-phenylmethoxyethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-benzyloxyacetyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(2-phenylmethoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-benzoxyacetyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-4-27-21(25)18-15-28-19(22-18)12-23(11-10-16(2)3)20(24)14-26-13-17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3