N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c20-16(12-24-17-3-1-2-8-19(17)21)18-7-6-13-4-5-14-15(11-13)23-10-9-22-14/h1-5,8,11H,6-7,9-10,12H2,(H,18,20)