ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoate

Systemtic Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoate Openeye Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformate CAS Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid ethyl ester IUPAC Name: ethyl (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformate Traditional Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid ethyl ester Formula: C11H12NO2S2+ MolecularWeight: 254.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SC1=[N+](C2=CC=CC=C2S1)C

Isomeric SMILES

CCOC(=O)SC1=[N+](C2=CC=CC=C2S1)C

InChI

InChI=1S/C11H12NO2S2/c1-3-14-11(13)16-10-12(2)8-6-4-5-7-9(8)15-10/h4-7H,3H2,1-2H3/q+1