methyl 3-tert-butyl-1,1-bis(oxidanylidene)-1,2-benzothiazole-4-carboxylate

Systemtic Name: methyl 3-tert-butyl-1,1-bis(oxidanylidene)-1,2-benzothiazole-4-carboxylate Openeye Name: methyl 3-tert-butyl-1,1-dioxo-1,2-benzothiazole-4-carboxylate CAS Name: 3-tert-butyl-1,1-dioxo-1,2-benzothiazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-tert-butyl-1,1-dioxo-1,2-benzothiazole-4-carboxylate Traditional Name: 3-tert-butyl-1,1-diketo-1,2-benzothiazole-4-carboxylic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NS(=O)(=O)C2=CC=CC(=C21)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NS(=O)(=O)C2=CC=CC(=C21)C(=O)OC

InChI

InChI=1S/C13H15NO4S/c1-13(2,3)11-10-8(12(15)18-4)6-5-7-9(10)19(16,17)14-11/h5-7H,1-4H3