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

Systemtic Name: ethyl 2-[[3-ethoxypropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-27-10-6-9-21(12-17-20-16(13-29-17)19(24)28-4-2)18(23)14-7-5-8-15(11-14)22(25)26/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3