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

Systemtic Name: ethyl 2-[[(4-methylphenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopropyl-(4-methylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methylbenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isopropyl(p-toluoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-5-23-18(22)15-11-24-16(19-15)10-20(12(2)3)17(21)14-8-6-13(4)7-9-14/h6-9,11-12H,5,10H2,1-4H3