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

Systemtic Name: ethyl 2-[[3-methylbutyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

InChI

InChI=1S/C24H34N2O3S/c1-5-7-8-9-19-10-12-20(13-11-19)23(27)26(15-14-18(3)4)16-22-25-21(17-30-22)24(28)29-6-2/h10-13,17-18H,5-9,14-16H2,1-4H3