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

Systemtic Name: ethyl 2-[[3-methylbutyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-5-28-20(25)16-12-29-18(21-16)11-22(9-8-13(2)3)19(24)15-7-6-14(4)17(10-15)23(26)27/h6-7,10,12-13H,5,8-9,11H2,1-4H3