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

Systemtic Name: ethyl 2-[[(4-nitrophenyl)carbonyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-nitrobenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitrophenyl)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-nitrobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-3-5-6-11-21(12-17-20-16(13-28-17)19(24)27-4-2)18(23)14-7-9-15(10-8-14)22(25)26/h7-10,13H,3-6,11-12H2,1-2H3