S-tert-butyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate

Systemtic Name: S-tert-butyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate Openeye Name: S-tert-butyl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)ethanethioic acid S-tert-butyl ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CN1C2=CC=CC=C2SC1=O

Isomeric SMILES

CC(C)(C)SC(=O)CN1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C13H15NO2S2/c1-13(2,3)18-11(15)8-14-9-6-4-5-7-10(9)17-12(14)16/h4-7H,8H2,1-3H3