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

Systemtic Name: methyl 2-[[(3-nitrophenyl)carbonyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-nitrobenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-nitrophenyl)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-nitrobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-3-4-5-9-20(11-16-19-15(12-27-16)18(23)26-2)17(22)13-7-6-8-14(10-13)21(24)25/h6-8,10,12H,3-5,9,11H2,1-2H3