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

Systemtic Name: ethyl 2-[[3-methylbutyl(2-phenylsulfanylethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-(2-phenylsulfanylacetyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(2-phenylsulfanylacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-[2-(phenylthio)acetyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S2/c1-4-25-20(24)17-13-27-18(21-17)12-22(11-10-15(2)3)19(23)14-26-16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3