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

Systemtic Name: ethyl 2-[[3-methylbutyl(2-phenoxyethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-(2-phenoxyacetyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(1-oxo-2-phenoxyethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(2-phenoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-(2-phenoxyacetyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S/c1-4-25-20(24)17-14-27-18(21-17)12-22(11-10-15(2)3)19(23)13-26-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3