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

Systemtic Name: ethyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-(4-nitrophenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl(nosyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c1-2-25-16(20)14-10-26-15(17-14)9-18(11-3-4-11)27(23,24)13-7-5-12(6-8-13)19(21)22/h5-8,10-11H,2-4,9H2,1H3