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

Systemtic Name: ethyl 2-[(3-ethoxycarbonyl-5-nitro-phenyl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-ethoxycarbonyl-5-nitro-benzoyl)-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethoxycarbonyl-5-nitrobenzoyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(3-carbethoxy-5-nitro-benzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-5-8-9-10-24(22-23-14(4)18(33-22)21(28)32-7-3)19(26)15-11-16(20(27)31-6-2)13-17(12-15)25(29)30/h11-13H,5-10H2,1-4H3