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

Systemtic Name: ethyl 2-[[(4-butylphenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-butylbenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butylphenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-butylbenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butylbenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

InChI

InChI=1S/C21H26N2O3S/c1-3-5-6-15-7-9-16(10-8-15)20(24)23(17-11-12-17)13-19-22-18(14-27-19)21(25)26-4-2/h7-10,14,17H,3-6,11-13H2,1-2H3