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

Systemtic Name: ethyl 2-[[(4-butoxyphenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-butoxybenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-butoxybenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

InChI

InChI=1S/C21H26N2O4S/c1-3-5-12-27-17-10-6-15(7-11-17)20(24)23(16-8-9-16)13-19-22-18(14-28-19)21(25)26-4-2/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3