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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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