tert-butyl 2-(1,3-benzothiazol-5-yl)ethanoate

Systemtic Name: tert-butyl 2-(1,3-benzothiazol-5-yl)ethanoate Openeye Name: tert-butyl 2-(1,3-benzothiazol-5-yl)acetate CAS Name: 2-(1,3-benzothiazol-5-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzothiazol-5-yl)acetate Traditional Name: 2-(1,3-benzothiazol-5-yl)acetic acid tert-butyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC2=C(C=C1)SC=N2

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC2=C(C=C1)SC=N2

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)7-9-4-5-11-10(6-9)14-8-17-11/h4-6,8H,7H2,1-3H3