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

Systemtic Name: ethyl 2-[[(4-nitrophenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-nitrobenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitrophenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-nitrobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-nitrobenzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-3-9-19(10-15-18-14(11-26-15)17(22)25-4-2)16(21)12-5-7-13(8-6-12)20(23)24/h5-8,11H,3-4,9-10H2,1-2H3