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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

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