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

Systemtic Name: tert-butyl 2-(4-methoxyphenyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate Openeye Name: tert-butyl 2-(4-methoxyphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methoxyphenyl)-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate Traditional Name: 1,1-diketo-2-(4-methoxyphenyl)-3H-1,2-benzothiazole-3-carboxylic acid tert-butyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=CC=CC=C2S(=O)(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21NO5S/c1-19(2,3)25-18(21)17-15-7-5-6-8-16(15)26(22,23)20(17)13-9-11-14(24-4)12-10-13/h5-12,17H,1-4H3