2-(5-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethanenitrile

Systemtic Name: 2-(5-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethanenitrile Openeye Name: 2-(5-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)acetonitrile CAS Name: 2-(5-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)acetonitrile IUPAC Name: 2-(5-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)acetonitrile Traditional Name: 2-(3-keto-5-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)acetonitrile Formula: C10H9N2O2S+ MolecularWeight: 221.25566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC([N+]2=O)CC#N

Isomeric SMILES

COC1=CC2=C(C=C1)SC([N+]2=O)CC#N

InChI

InChI=1S/C10H9N2O2S/c1-14-7-2-3-9-8(6-7)12(13)10(15-9)4-5-11/h2-3,6,10H,4H2,1H3/q+1