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

Systemtic Name: ethyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-4-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-4-nitrobenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O6S/c1-3-27-17(23)14-10-28-15(19-14)9-20(6-7-26-2)16(22)12-5-4-11(21(24)25)8-13(12)18/h4-5,8,10H,3,6-7,9H2,1-2H3