(3-nitro-1-benzofuran-5-yl) 2,4-dimethyl-1,3-thiazole-5-sulfonate

Systemtic Name: (3-nitro-1-benzofuran-5-yl) 2,4-dimethyl-1,3-thiazole-5-sulfonate Openeye Name: (3-nitrobenzofuran-5-yl) 2,4-dimethylthiazole-5-sulfonate CAS Name: 2,4-dimethyl-5-thiazolesulfonic acid (3-nitro-5-benzofuranyl) ester IUPAC Name: (3-nitro-1-benzofuran-5-yl) 2,4-dimethyl-1,3-thiazole-5-sulfonate Traditional Name: 2,4-dimethylthiazole-5-sulfonic acid (3-nitrobenzofuran-5-yl) ester Formula: C13H10N2O6S2 MolecularWeight: 354.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)S(=O)(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)S(=O)(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S2/c1-7-13(22-8(2)14-7)23(18,19)21-9-3-4-12-10(5-9)11(6-20-12)15(16)17/h3-6H,1-2H3