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

Systemtic Name: ethyl 2-[[tert-butyl-(2-chloranyl-4-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[tert-butyl-(2-chloro-4-nitro-benzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[tert-butyl-[(2-chloro-4-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[tert-butyl-(2-chloro-4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[tert-butyl-(2-chloro-4-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S/c1-5-27-17(24)14-10-28-15(20-14)9-21(18(2,3)4)16(23)12-7-6-11(22(25)26)8-13(12)19/h6-8,10H,5,9H2,1-4H3