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

Systemtic Name: ethyl 2-[[3-methylbutyl(3-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl(3-phenylpropanoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(1-oxo-3-phenylpropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl(3-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[hydrocinnamoyl(isoamyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c1-4-26-21(25)18-15-27-19(22-18)14-23(13-12-16(2)3)20(24)11-10-17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3