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

Systemtic Name: ethyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-4-nitro-benzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-4-nitrobenzoyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H22ClN3O6S/c1-3-28-9-5-8-22(11-17-21-16(12-30-17)19(25)29-4-2)18(24)14-7-6-13(23(26)27)10-15(14)20/h6-7,10,12H,3-5,8-9,11H2,1-2H3