(3,3-dimethyl-2-oxidanylidene-butyl) 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-20(2,3)17(22)12-24-19(23)14-9-5-4-8-13(14)18-21-15-10-6-7-11-16(15)25-18/h4-11H,12H2,1-3H3