3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde

Systemtic Name: 3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde Openeye Name: 3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde CAS Name: 3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carboxaldehyde IUPAC Name: 3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde Traditional Name: 2-keto-3-methyl-1,3-benzothiazol-3-ium-3-carbaldehyde Formula: C9H8NO2S+ MolecularWeight: 194.23032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2SC1=O)C=O

Isomeric SMILES

C[N+]1(C2=CC=CC=C2SC1=O)C=O

InChI

InChI=1S/C9H8NO2S/c1-10(6-11)7-4-2-3-5-8(7)13-9(10)12/h2-6H,1H3/q+1