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

Systemtic Name: ethyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S/c1-3-28-18(24)15-11-29-16(20-15)10-21(7-4-8-27-2)17(23)13-6-5-12(22(25)26)9-14(13)19/h5-6,9,11H,3-4,7-8,10H2,1-2H3