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

Systemtic Name: ethyl 2-[[(4-ethylphenyl)carbonyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-ethylbenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-ethylphenyl)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-ethylbenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-(4-ethylbenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC=C(C=C2)CC

InChI

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