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

Systemtic Name: ethyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-chloro-3-nitro-benzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chloro-3-nitrobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-3-7-20(9-15-19-13(10-27-15)17(23)26-4-2)16(22)11-5-6-12(18)14(8-11)21(24)25/h5-6,8,10H,3-4,7,9H2,1-2H3