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

Systemtic Name: 3-ethyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde Openeye Name: 3-ethyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde CAS Name: 3-ethyl-2-oxo-1,3-benzothiazol-3-ium-3-carboxaldehyde IUPAC Name: 3-ethyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde Traditional Name: 3-ethyl-2-keto-1,3-benzothiazol-3-ium-3-carbaldehyde Formula: C10H10NO2S+ MolecularWeight: 208.2569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10NO2S/c1-2-11(7-12)8-5-3-4-6-9(8)14-10(11)13/h3-7H,2H2,1H3/q+1