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

Systemtic Name: ethyl 2-[[(4-butylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-butylbenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butylphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butylbenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

InChI

InChI=1S/C23H32N2O3S/c1-5-7-8-18-9-11-19(12-10-18)22(26)25(14-13-17(3)4)15-21-24-20(16-29-21)23(27)28-6-2/h9-12,16-17H,5-8,13-15H2,1-4H3