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

Systemtic Name: ethyl 2-[[(3-chlorophenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chlorobenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chlorophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chlorobenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chlorobenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H23ClN2O3S/c1-4-25-19(24)16-12-26-17(21-16)11-22(9-8-13(2)3)18(23)14-6-5-7-15(20)10-14/h5-7,10,12-13H,4,8-9,11H2,1-3H3