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

Systemtic Name: ethyl 2-[[3-methylbutyl(2-thiophen-2-ylethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-[2-(2-thienyl)acetyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(2-thiophen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-[2-(2-thienyl)acetyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CC2=CC=CS2

InChI

InChI=1S/C18H24N2O3S2/c1-4-23-18(22)15-12-25-16(19-15)11-20(8-7-13(2)3)17(21)10-14-6-5-9-24-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3