ethyl 2-[[(3,5-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3,5-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,5-dimethoxybenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,5-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3,5-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=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-6-28-21(25)18-13-29-19(22-18)12-23(8-7-14(2)3)20(24)15-9-16(26-4)11-17(10-15)27-5/h9-11,13-14H,6-8,12H2,1-5H3