N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H14N2O5S/c19-14(10-24-15-7-3-4-8-18(15)21)17-16(20)13-9-22-11-5-1-2-6-12(11)23-13/h1-8,13H,9-10H2,(H,17,19,20)