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

Systemtic Name: methyl 2-[[(4-pentylphenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopropyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[oxo-(4-pentylphenyl)methyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-pentylbenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-5-6-7-8-16-9-11-17(12-10-16)20(24)23(15(2)3)13-19-22-18(14-27-19)21(25)26-4/h9-12,14-15H,5-8,13H2,1-4H3