(2-phenyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate

Systemtic Name: (2-phenyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate Openeye Name: (2-phenyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (2-phenyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-phenyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-phenyl-1,3-benzothiazol-6-yl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-18(2,3)17(20)21-13-9-10-14-15(11-13)22-16(19-14)12-7-5-4-6-8-12/h4-11H,1-3H3