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

Systemtic Name: methyl 2-[[3-methoxypropyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[3-methoxypropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methoxypropyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC2=NC(=CS2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC2=NC(=CS2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-12-5-6-13(9-15(12)21(24)25)17(22)20(7-4-8-26-2)10-16-19-14(11-28-16)18(23)27-3/h5-6,9,11H,4,7-8,10H2,1-3H3