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

Systemtic Name: ethyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl(nosyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H21N3O7S2 MolecularWeight: 443.49454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7S2/c1-3-27-17(21)15-12-28-16(18-15)11-19(9-4-10-26-2)29(24,25)14-7-5-13(6-8-14)20(22)23/h5-8,12H,3-4,9-11H2,1-2H3