ethyl 2-[(3-methoxycarbonyl-5-nitro-phenyl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-methoxycarbonyl-5-nitro-phenyl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-methoxycarbonyl-5-nitro-benzoyl)-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methoxycarbonyl-5-nitrobenzoyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(3-carbomethoxy-5-nitro-benzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H25N3O7S/c1-5-7-8-9-23(21-22-13(3)17(32-21)20(27)31-6-2)18(25)14-10-15(19(26)30-4)12-16(11-14)24(28)29/h10-12H,5-9H2,1-4H3