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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(1,3-benzothiazol-2-ylmethyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1,3-benzothiazol-2-ylmethyl)benzoate CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1,3-benzothiazol-2-ylmethyl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-21(2,3)18(23)13-25-20(24)15-9-5-4-8-14(15)12-19-22-16-10-6-7-11-17(16)26-19/h4-11H,12-13H2,1-3H3