(2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S2/c1-28(24,25)16-8-7-13(9-15(16)20(22)23)18(21)26-10-14-11-27-17(19-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3