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

Systemtic Name: methyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6S/c1-25-6-5-19(8-14-18-13(9-27-14)16(22)26-2)15(21)11-4-3-10(20(23)24)7-12(11)17/h3-4,7,9H,5-6,8H2,1-2H3