(4-tert-butylphenyl) 1-methyl-3-oxidanylidene-2,1-benzothiazole-5-sulfonate

Systemtic Name: (4-tert-butylphenyl) 1-methyl-3-oxidanylidene-2,1-benzothiazole-5-sulfonate Openeye Name: (4-tert-butylphenyl) 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonate CAS Name: 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonate Traditional Name: 3-keto-1-methyl-2,1-benzothiazole-5-sulfonic acid (4-tert-butylphenyl) ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(SC3=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(SC3=O)C

InChI

InChI=1S/C18H19NO4S2/c1-18(2,3)12-5-7-13(8-6-12)23-25(21,22)14-9-10-16-15(11-14)17(20)24-19(16)4/h5-11H,1-4H3