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

Systemtic Name: methyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-(4-nitrophenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-(4-nitrophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl(nosyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C15H15N3O6S2 MolecularWeight: 397.4261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6S2/c1-24-15(19)13-9-25-14(16-13)8-17(10-2-3-10)26(22,23)12-6-4-11(5-7-12)18(20)21/h4-7,9-10H,2-3,8H2,1H3