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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C13H12N2O6S2 MolecularWeight: 356.37418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S2/c1-8-14-10(7-22-8)6-21-13(16)9-3-4-12(23(2,19)20)11(5-9)15(17)18/h3-5,7H,6H2,1-2H3