1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13NO4S/c17-12(10-21-15-3-1-2-6-16(15)18)11-4-5-13-14(9-11)20-8-7-19-13/h1-6,9H,7-8,10H2