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

Systemtic Name: ethyl 2-[[(4-methyl-3-nitro-phenyl)carbonyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-methyl-3-nitro-benzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-methyl-3-nitrobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-4-6-7-10-22(12-18-21-16(13-29-18)20(25)28-5-2)19(24)15-9-8-14(3)17(11-15)23(26)27/h8-9,11,13H,4-7,10,12H2,1-3H3