ethyl 2-[[(2,6-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(2,6-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2,6-dimethoxybenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2,6-dimethoxyphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2,6-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2,6-dimethoxybenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-6-28-21(25)15-13-29-18(22-15)12-23(11-10-14(2)3)20(24)19-16(26-4)8-7-9-17(19)27-5/h7-9,13-14H,6,10-12H2,1-5H3