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

Systemtic Name: ethyl 2-[[(4-butoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-butoxybenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-butoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C(C)C

InChI

InChI=1S/C21H28N2O4S/c1-5-7-12-27-17-10-8-16(9-11-17)20(24)23(15(3)4)13-19-22-18(14-28-19)21(25)26-6-2/h8-11,14-15H,5-7,12-13H2,1-4H3