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

Systemtic Name: methyl 2-[[3-methoxypropyl-(4-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[3-methoxypropyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methoxypropyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-25-9-3-8-19(10-15-18-14(11-27-15)17(22)26-2)16(21)12-4-6-13(7-5-12)20(23)24/h4-7,11H,3,8-10H2,1-2H3