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

Systemtic Name: ethyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-chloro-3-nitro-benzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chloro-3-nitrobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-(4-chloro-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S/c1-3-5-6-9-22(11-17-21-15(12-29-17)19(25)28-4-2)18(24)13-7-8-14(20)16(10-13)23(26)27/h7-8,10,12H,3-6,9,11H2,1-2H3